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/RNA_A-c89ea28d/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA_A-c89ea28d/inputs/seq.fa: 2
curr_seq: _GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA_
curr_seq: _AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA
chainId: B, chainSeq: AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC
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 67 nucleotides
chain B contains 35 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: 520
n_atoms_counter: 520
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 102.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/RNA_A-c89ea28d/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA_A-c89ea28d/inputs/seq.fa: 2
curr_seq: _GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA_
curr_seq: _AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA
chainId: B, chainSeq: AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC
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 67 nucleotides
chain B contains 35 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: 520
n_atoms_counter: 520
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 102.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/RNA_A-c89ea28d/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA_A-c89ea28d/inputs/seq.fa: 2
curr_seq: _GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA_
curr_seq: _AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA
chainId: B, chainSeq: AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC
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 67 nucleotides
chain B contains 35 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: 520
n_atoms_counter: 520
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 102.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/RNA_A-c89ea28d/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA_A-c89ea28d/inputs/seq.fa: 2
curr_seq: _GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA_
curr_seq: _AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA
chainId: B, chainSeq: AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC
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 67 nucleotides
chain B contains 35 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: 520
n_atoms_counter: 520
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 102.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/RNA_A-c89ea28d/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA_A-c89ea28d/inputs/seq.fa: 2
curr_seq: _GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA_
curr_seq: _AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA
chainId: B, chainSeq: AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC
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 67 nucleotides
chain B contains 35 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: 520
n_atoms_counter: 520
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 102.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/RNA_A-c89ea28d/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA_A-c89ea28d/inputs/seq.fa: 2
curr_seq: _GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA_
curr_seq: _AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA
chainId: B, chainSeq: AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC
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 67 nucleotides
chain B contains 35 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: 520
n_atoms_counter: 520
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 102.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/RNA_A-c89ea28d/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA_A-c89ea28d/inputs/seq.fa: 2
curr_seq: _GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA_
curr_seq: _AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA
chainId: B, chainSeq: AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC
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 67 nucleotides
chain B contains 35 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: 520
n_atoms_counter: 520
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 102.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/RNA_A-c89ea28d/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA_A-c89ea28d/inputs/seq.fa: 2
curr_seq: _GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA_
curr_seq: _AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA
chainId: B, chainSeq: AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC
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 67 nucleotides
chain B contains 35 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: 520
n_atoms_counter: 520
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 102.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/RNA_A-c89ea28d/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA_A-c89ea28d/inputs/seq.fa: 2
curr_seq: _GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA_
curr_seq: _AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA
chainId: B, chainSeq: AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC
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 67 nucleotides
chain B contains 35 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: 520
n_atoms_counter: 520
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 102.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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/RNA_A-c89ea28d/inputs/seq.fa first_line: R R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA_A-c89ea28d/inputs/seq.fa: 2
curr_seq: _GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA_
curr_seq: _AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC_
chainIds_rna: _AB_, chainIds_protein: __
chainId: A, chainSeq: GGCCUAAAAGCGUAGUGGGAAAGUGACGUGAAAUUCGUCCAGAUUACUUGAUACGGUUAUACUCCGA
chainId: B, chainSeq: AUGCCACCUAGGCCAUACAACGAGCAAGGAGACUC
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 67 nucleotides
chain B contains 35 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: 520
n_atoms_counter: 520
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
void RNAStructure::setLimitingSphereRadius(double limitingSphereRadius):
limiting sphere radius value: 102.000000 was provided by the user
EntireStructure::rnaStruct limitingSphereRadius : 102.000000 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: -399.608662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.608662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.608662 (E_RNA)
where:
Base-Base interactions energy: -1.937
where: short stacking energy: -1.937
Base-Backbone interact. energy: -0.000
local terms energy: -397.671399
where:
bonds (distance) C4'-P energy: -99.101
bonds (distance) P-C4' energy: -93.044
flat angles C4'-P-C4' energy: -74.891
flat angles P-C4'-P energy: -85.667
tors. eta vs tors. theta energy: -44.968
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: 1
Temperature: 0.950000
Total energy: -399.608662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.608662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.608662 (E_RNA)
where:
Base-Base interactions energy: -1.937
where: short stacking energy: -1.937
Base-Backbone interact. energy: -0.000
local terms energy: -397.671399
where:
bonds (distance) C4'-P energy: -99.101
bonds (distance) P-C4' energy: -93.044
flat angles C4'-P-C4' energy: -74.891
flat angles P-C4'-P energy: -85.667
tors. eta vs tors. theta energy: -44.968
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -399.608662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.608662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.608662 (E_RNA)
where:
Base-Base interactions energy: -1.937
where: short stacking energy: -1.937
Base-Backbone interact. energy: -0.000
local terms energy: -397.671399
where:
bonds (distance) C4'-P energy: -99.101
bonds (distance) P-C4' energy: -93.044
flat angles C4'-P-C4' energy: -74.891
flat angles P-C4'-P energy: -85.667
tors. eta vs tors. theta energy: -44.968
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -399.608662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.608662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.608662 (E_RNA)
where:
Base-Base interactions energy: -1.937
where: short stacking energy: -1.937
Base-Backbone interact. energy: -0.000
local terms energy: -397.671399
where:
bonds (distance) C4'-P energy: -99.101
bonds (distance) P-C4' energy: -93.044
flat angles C4'-P-C4' energy: -74.891
flat angles P-C4'-P energy: -85.667
tors. eta vs tors. theta energy: -44.968
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -399.608662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.608662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.608662 (E_RNA)
where:
Base-Base interactions energy: -1.937
where: short stacking energy: -1.937
Base-Backbone interact. energy: -0.000
local terms energy: -397.671399
where:
bonds (distance) C4'-P energy: -99.101
bonds (distance) P-C4' energy: -93.044
flat angles C4'-P-C4' energy: -74.891
flat angles P-C4'-P energy: -85.667
tors. eta vs tors. theta energy: -44.968
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -399.608662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.608662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.608662 (E_RNA)
where:
Base-Base interactions energy: -1.937
where: short stacking energy: -1.937
Base-Backbone interact. energy: -0.000
local terms energy: -397.671399
where:
bonds (distance) C4'-P energy: -99.101
bonds (distance) P-C4' energy: -93.044
flat angles C4'-P-C4' energy: -74.891
flat angles P-C4'-P energy: -85.667
tors. eta vs tors. theta energy: -44.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -399.608662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.608662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.608662 (E_RNA)
where:
Base-Base interactions energy: -1.937
where: short stacking energy: -1.937
Base-Backbone interact. energy: -0.000
local terms energy: -397.671399
where:
bonds (distance) C4'-P energy: -99.101
bonds (distance) P-C4' energy: -93.044
flat angles C4'-P-C4' energy: -74.891
flat angles P-C4'-P energy: -85.667
tors. eta vs tors. theta energy: -44.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -399.608662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.608662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.608662 (E_RNA)
where:
Base-Base interactions energy: -1.937
where: short stacking energy: -1.937
Base-Backbone interact. energy: -0.000
local terms energy: -397.671399
where:
bonds (distance) C4'-P energy: -99.101
bonds (distance) P-C4' energy: -93.044
flat angles C4'-P-C4' energy: -74.891
flat angles P-C4'-P energy: -85.667
tors. eta vs tors. theta energy: -44.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -399.608662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.608662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.608662 (E_RNA)
where:
Base-Base interactions energy: -1.937
where: short stacking energy: -1.937
Base-Backbone interact. energy: -0.000
local terms energy: -397.671399
where:
bonds (distance) C4'-P energy: -99.101
bonds (distance) P-C4' energy: -93.044
flat angles C4'-P-C4' energy: -74.891
flat angles P-C4'-P energy: -85.667
tors. eta vs tors. theta energy: -44.968
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -399.608662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.608662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.608662 (E_RNA)
where:
Base-Base interactions energy: -1.937
where: short stacking energy: -1.937
Base-Backbone interact. energy: -0.000
local terms energy: -397.671399
where:
bonds (distance) C4'-P energy: -99.101
bonds (distance) P-C4' energy: -93.044
flat angles C4'-P-C4' energy: -74.891
flat angles P-C4'-P energy: -85.667
tors. eta vs tors. theta energy: -44.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -544.654503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.654503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.654503 (E_RNA)
where:
Base-Base interactions energy: -234.074
where: short stacking energy: -231.371
Base-Backbone interact. energy: -1.154
local terms energy: -309.426898
where:
bonds (distance) C4'-P energy: -63.790
bonds (distance) P-C4' energy: -74.430
flat angles C4'-P-C4' energy: -64.405
flat angles P-C4'-P energy: -50.187
tors. eta vs tors. theta energy: -56.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -503.099788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.099788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.099788 (E_RNA)
where:
Base-Base interactions energy: -216.948
where: short stacking energy: -207.859
Base-Backbone interact. energy: -0.346
local terms energy: -285.806243
where:
bonds (distance) C4'-P energy: -55.648
bonds (distance) P-C4' energy: -73.220
flat angles C4'-P-C4' energy: -63.555
flat angles P-C4'-P energy: -41.712
tors. eta vs tors. theta energy: -51.672
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: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -464.575662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.575662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.575662 (E_RNA)
where:
Base-Base interactions energy: -197.195
where: short stacking energy: -197.195
Base-Backbone interact. energy: -0.010
local terms energy: -267.370606
where:
bonds (distance) C4'-P energy: -68.829
bonds (distance) P-C4' energy: -61.465
flat angles C4'-P-C4' energy: -56.734
flat angles P-C4'-P energy: -36.298
tors. eta vs tors. theta energy: -44.044
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -423.791325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.791325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.791325 (E_RNA)
where:
Base-Base interactions energy: -164.616
where: short stacking energy: -152.764
Base-Backbone interact. energy: -0.832
local terms energy: -258.343860
where:
bonds (distance) C4'-P energy: -58.265
bonds (distance) P-C4' energy: -72.650
flat angles C4'-P-C4' energy: -62.529
flat angles P-C4'-P energy: -39.214
tors. eta vs tors. theta energy: -25.685
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -410.413455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.413455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.413455 (E_RNA)
where:
Base-Base interactions energy: -163.284
where: short stacking energy: -159.152
Base-Backbone interact. energy: -1.286
local terms energy: -249.215164
where:
bonds (distance) C4'-P energy: -71.007
bonds (distance) P-C4' energy: -50.479
flat angles C4'-P-C4' energy: -62.786
flat angles P-C4'-P energy: -36.561
tors. eta vs tors. theta energy: -28.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.372 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -403.333495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.333495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.333495 (E_RNA)
where:
Base-Base interactions energy: -32.749
where: short stacking energy: -32.749
Base-Backbone interact. energy: -0.000
local terms energy: -370.583988
where:
bonds (distance) C4'-P energy: -85.705
bonds (distance) P-C4' energy: -80.212
flat angles C4'-P-C4' energy: -75.937
flat angles P-C4'-P energy: -82.950
tors. eta vs tors. theta energy: -45.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -403.604667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.604667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.604667 (E_RNA)
where:
Base-Base interactions energy: -100.617
where: short stacking energy: -100.617
Base-Backbone interact. energy: -0.001
local terms energy: -302.986131
where:
bonds (distance) C4'-P energy: -67.740
bonds (distance) P-C4' energy: -71.307
flat angles C4'-P-C4' energy: -63.887
flat angles P-C4'-P energy: -59.848
tors. eta vs tors. theta energy: -40.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -405.751943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.751943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.751943 (E_RNA)
where:
Base-Base interactions energy: -32.300
where: short stacking energy: -32.300
Base-Backbone interact. energy: -0.000
local terms energy: -373.451996
where:
bonds (distance) C4'-P energy: -87.917
bonds (distance) P-C4' energy: -80.594
flat angles C4'-P-C4' energy: -75.685
flat angles P-C4'-P energy: -82.950
tors. eta vs tors. theta energy: -46.307
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -408.377686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.377686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.377686 (E_RNA)
where:
Base-Base interactions energy: -33.405
where: short stacking energy: -33.405
Base-Backbone interact. energy: -0.000
local terms energy: -374.972476
where:
bonds (distance) C4'-P energy: -89.221
bonds (distance) P-C4' energy: -82.619
flat angles C4'-P-C4' energy: -74.858
flat angles P-C4'-P energy: -83.329
tors. eta vs tors. theta energy: -44.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -403.807221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.807221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.807221 (E_RNA)
where:
Base-Base interactions energy: -12.807
where: short stacking energy: -12.807
Base-Backbone interact. energy: -0.000
local terms energy: -391.000296
where:
bonds (distance) C4'-P energy: -96.336
bonds (distance) P-C4' energy: -89.430
flat angles C4'-P-C4' energy: -73.904
flat angles P-C4'-P energy: -85.135
tors. eta vs tors. theta energy: -46.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -572.888969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.888969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.888969 (E_RNA)
where:
Base-Base interactions energy: -255.548
where: short stacking energy: -239.114
Base-Backbone interact. energy: -0.421
local terms energy: -316.920110
where:
bonds (distance) C4'-P energy: -65.773
bonds (distance) P-C4' energy: -73.094
flat angles C4'-P-C4' energy: -70.088
flat angles P-C4'-P energy: -51.314
tors. eta vs tors. theta energy: -56.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -520.758300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.758300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.758300 (E_RNA)
where:
Base-Base interactions energy: -226.372
where: short stacking energy: -203.916
Base-Backbone interact. energy: -0.113
local terms energy: -294.273176
where:
bonds (distance) C4'-P energy: -66.025
bonds (distance) P-C4' energy: -65.975
flat angles C4'-P-C4' energy: -62.938
flat angles P-C4'-P energy: -48.176
tors. eta vs tors. theta energy: -51.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -544.323868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.323868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.323868 (E_RNA)
where:
Base-Base interactions energy: -297.053
where: short stacking energy: -191.568
Base-Backbone interact. energy: -1.894
local terms energy: -245.599542
where:
bonds (distance) C4'-P energy: -60.644
bonds (distance) P-C4' energy: -55.447
flat angles C4'-P-C4' energy: -64.297
flat angles P-C4'-P energy: -30.624
tors. eta vs tors. theta energy: -34.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.222 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -427.071330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.071330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.071330 (E_RNA)
where:
Base-Base interactions energy: -180.228
where: short stacking energy: -163.893
Base-Backbone interact. energy: -0.121
local terms energy: -246.722389
where:
bonds (distance) C4'-P energy: -59.824
bonds (distance) P-C4' energy: -60.560
flat angles C4'-P-C4' energy: -51.255
flat angles P-C4'-P energy: -36.959
tors. eta vs tors. theta energy: -38.126
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -392.741156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.741156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.741156 (E_RNA)
where:
Base-Base interactions energy: -167.998
where: short stacking energy: -151.831
Base-Backbone interact. energy: 0.402
local terms energy: -225.145369
where:
bonds (distance) C4'-P energy: -53.849
bonds (distance) P-C4' energy: -66.768
flat angles C4'-P-C4' energy: -55.088
flat angles P-C4'-P energy: -30.483
tors. eta vs tors. theta energy: -18.957
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: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -388.379331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.379331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.379331 (E_RNA)
where:
Base-Base interactions energy: -175.867
where: short stacking energy: -127.322
Base-Backbone interact. energy: -1.308
local terms energy: -211.204863
where:
bonds (distance) C4'-P energy: -53.053
bonds (distance) P-C4' energy: -63.937
flat angles C4'-P-C4' energy: -58.055
flat angles P-C4'-P energy: -20.335
tors. eta vs tors. theta energy: -15.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -336.719996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.719996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.719996 (E_RNA)
where:
Base-Base interactions energy: -124.204
where: short stacking energy: -119.542
Base-Backbone interact. energy: -0.146
local terms energy: -212.370629
where:
bonds (distance) C4'-P energy: -51.208
bonds (distance) P-C4' energy: -65.901
flat angles C4'-P-C4' energy: -47.606
flat angles P-C4'-P energy: -33.106
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -310.159062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.159062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.159062 (E_RNA)
where:
Base-Base interactions energy: -112.481
where: short stacking energy: -112.445
Base-Backbone interact. energy: -0.574
local terms energy: -197.103370
where:
bonds (distance) C4'-P energy: -53.725
bonds (distance) P-C4' energy: -64.707
flat angles C4'-P-C4' energy: -39.834
flat angles P-C4'-P energy: -25.215
tors. eta vs tors. theta energy: -13.623
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: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -302.371269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.371269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.371269 (E_RNA)
where:
Base-Base interactions energy: -96.039
where: short stacking energy: -87.508
Base-Backbone interact. energy: 2.220
local terms energy: -208.551953
where:
bonds (distance) C4'-P energy: -53.574
bonds (distance) P-C4' energy: -64.707
flat angles C4'-P-C4' energy: -49.189
flat angles P-C4'-P energy: -41.722
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -278.294043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.294043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.294043 (E_RNA)
where:
Base-Base interactions energy: -99.753
where: short stacking energy: -98.535
Base-Backbone interact. energy: 1.122
local terms energy: -179.662278
where:
bonds (distance) C4'-P energy: -38.329
bonds (distance) P-C4' energy: -59.072
flat angles C4'-P-C4' energy: -44.787
flat angles P-C4'-P energy: -30.617
tors. eta vs tors. theta energy: -6.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -555.754403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.754403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.754403 (E_RNA)
where:
Base-Base interactions energy: -277.247
where: short stacking energy: -228.220
Base-Backbone interact. energy: -0.476
local terms energy: -278.031795
where:
bonds (distance) C4'-P energy: -59.758
bonds (distance) P-C4' energy: -67.368
flat angles C4'-P-C4' energy: -59.310
flat angles P-C4'-P energy: -38.756
tors. eta vs tors. theta energy: -52.840
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: 2, replica: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -522.098708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.098708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.098708 (E_RNA)
where:
Base-Base interactions energy: -241.243
where: short stacking energy: -219.319
Base-Backbone interact. energy: -1.601
local terms energy: -280.429251
where:
bonds (distance) C4'-P energy: -57.994
bonds (distance) P-C4' energy: -67.443
flat angles C4'-P-C4' energy: -63.343
flat angles P-C4'-P energy: -38.247
tors. eta vs tors. theta energy: -53.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.175 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -574.719581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.719581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.719581 (E_RNA)
where:
Base-Base interactions energy: -315.709
where: short stacking energy: -196.381
Base-Backbone interact. energy: -2.656
local terms energy: -256.354522
where:
bonds (distance) C4'-P energy: -52.850
bonds (distance) P-C4' energy: -63.716
flat angles C4'-P-C4' energy: -64.297
flat angles P-C4'-P energy: -33.500
tors. eta vs tors. theta energy: -41.991
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: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -437.677056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.677056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.677056 (E_RNA)
where:
Base-Base interactions energy: -199.315
where: short stacking energy: -154.157
Base-Backbone interact. energy: -0.466
local terms energy: -238.377178
where:
bonds (distance) C4'-P energy: -51.449
bonds (distance) P-C4' energy: -69.009
flat angles C4'-P-C4' energy: -51.712
flat angles P-C4'-P energy: -38.999
tors. eta vs tors. theta energy: -27.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.480 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -440.494449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.494449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.494449 (E_RNA)
where:
Base-Base interactions energy: -195.188
where: short stacking energy: -139.042
Base-Backbone interact. energy: -2.399
local terms energy: -243.009066
where:
bonds (distance) C4'-P energy: -53.587
bonds (distance) P-C4' energy: -66.349
flat angles C4'-P-C4' energy: -58.862
flat angles P-C4'-P energy: -48.173
tors. eta vs tors. theta energy: -16.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.101 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -348.075672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.075672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.075672 (E_RNA)
where:
Base-Base interactions energy: -138.431
where: short stacking energy: -98.085
Base-Backbone interact. energy: -0.936
local terms energy: -208.708645
where:
bonds (distance) C4'-P energy: -55.809
bonds (distance) P-C4' energy: -59.884
flat angles C4'-P-C4' energy: -48.372
flat angles P-C4'-P energy: -37.523
tors. eta vs tors. theta energy: -7.120
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: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -355.869975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.869975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.869975 (E_RNA)
where:
Base-Base interactions energy: -129.785
where: short stacking energy: -109.793
Base-Backbone interact. energy: -1.757
local terms energy: -224.328195
where:
bonds (distance) C4'-P energy: -63.080
bonds (distance) P-C4' energy: -58.343
flat angles C4'-P-C4' energy: -51.184
flat angles P-C4'-P energy: -45.284
tors. eta vs tors. theta energy: -6.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -313.716342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.716342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.716342 (E_RNA)
where:
Base-Base interactions energy: -106.679
where: short stacking energy: -96.256
Base-Backbone interact. energy: 0.571
local terms energy: -207.607872
where:
bonds (distance) C4'-P energy: -46.454
bonds (distance) P-C4' energy: -55.368
flat angles C4'-P-C4' energy: -57.633
flat angles P-C4'-P energy: -35.770
tors. eta vs tors. theta energy: -12.383
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: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -287.467280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.467280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.467280 (E_RNA)
where:
Base-Base interactions energy: -99.728
where: short stacking energy: -97.282
Base-Backbone interact. energy: -0.334
local terms energy: -187.405516
where:
bonds (distance) C4'-P energy: -55.514
bonds (distance) P-C4' energy: -52.195
flat angles C4'-P-C4' energy: -57.808
flat angles P-C4'-P energy: -23.620
tors. eta vs tors. theta energy: 1.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -266.690244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.690244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.690244 (E_RNA)
where:
Base-Base interactions energy: -98.618
where: short stacking energy: -84.833
Base-Backbone interact. energy: -0.965
local terms energy: -170.930650
where:
bonds (distance) C4'-P energy: -62.245
bonds (distance) P-C4' energy: -53.806
flat angles C4'-P-C4' energy: -30.481
flat angles P-C4'-P energy: -24.488
tors. eta vs tors. theta energy: 0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.823 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -603.443847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.443847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.443847 (E_RNA)
where:
Base-Base interactions energy: -306.326
where: short stacking energy: -240.410
Base-Backbone interact. energy: -0.432
local terms energy: -296.686058
where:
bonds (distance) C4'-P energy: -61.886
bonds (distance) P-C4' energy: -61.766
flat angles C4'-P-C4' energy: -72.443
flat angles P-C4'-P energy: -43.930
tors. eta vs tors. theta energy: -56.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -681.317876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.317876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.317876 (E_RNA)
where:
Base-Base interactions energy: -383.724
where: short stacking energy: -244.470
Base-Backbone interact. energy: -1.216
local terms energy: -296.378231
where:
bonds (distance) C4'-P energy: -62.855
bonds (distance) P-C4' energy: -67.250
flat angles C4'-P-C4' energy: -63.593
flat angles P-C4'-P energy: -40.966
tors. eta vs tors. theta energy: -61.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -502.530168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.530168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.530168 (E_RNA)
where:
Base-Base interactions energy: -229.710
where: short stacking energy: -217.759
Base-Backbone interact. energy: -0.689
local terms energy: -272.130938
where:
bonds (distance) C4'-P energy: -59.977
bonds (distance) P-C4' energy: -65.097
flat angles C4'-P-C4' energy: -66.884
flat angles P-C4'-P energy: -35.229
tors. eta vs tors. theta energy: -44.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -438.333474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.333474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.333474 (E_RNA)
where:
Base-Base interactions energy: -184.676
where: short stacking energy: -169.205
Base-Backbone interact. energy: -1.886
local terms energy: -251.771244
where:
bonds (distance) C4'-P energy: -60.428
bonds (distance) P-C4' energy: -65.288
flat angles C4'-P-C4' energy: -65.099
flat angles P-C4'-P energy: -32.119
tors. eta vs tors. theta energy: -28.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -491.886780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.886780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.886780 (E_RNA)
where:
Base-Base interactions energy: -256.085
where: short stacking energy: -168.924
Base-Backbone interact. energy: -1.111
local terms energy: -234.690599
where:
bonds (distance) C4'-P energy: -50.736
bonds (distance) P-C4' energy: -55.075
flat angles C4'-P-C4' energy: -60.998
flat angles P-C4'-P energy: -35.580
tors. eta vs tors. theta energy: -32.302
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: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -374.725193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.725193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.725193 (E_RNA)
where:
Base-Base interactions energy: -163.201
where: short stacking energy: -119.188
Base-Backbone interact. energy: 1.777
local terms energy: -213.300576
where:
bonds (distance) C4'-P energy: -52.803
bonds (distance) P-C4' energy: -63.971
flat angles C4'-P-C4' energy: -48.483
flat angles P-C4'-P energy: -30.230
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: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -335.144613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.144613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.144613 (E_RNA)
where:
Base-Base interactions energy: -120.624
where: short stacking energy: -111.082
Base-Backbone interact. energy: 1.024
local terms energy: -215.543913
where:
bonds (distance) C4'-P energy: -57.108
bonds (distance) P-C4' energy: -49.712
flat angles C4'-P-C4' energy: -56.974
flat angles P-C4'-P energy: -39.136
tors. eta vs tors. theta energy: -12.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -309.830195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.830195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.830195 (E_RNA)
where:
Base-Base interactions energy: -111.767
where: short stacking energy: -94.119
Base-Backbone interact. energy: 1.015
local terms energy: -199.078218
where:
bonds (distance) C4'-P energy: -54.870
bonds (distance) P-C4' energy: -55.146
flat angles C4'-P-C4' energy: -59.821
flat angles P-C4'-P energy: -29.673
tors. eta vs tors. theta energy: 0.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -294.154097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.154097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.154097 (E_RNA)
where:
Base-Base interactions energy: -104.145
where: short stacking energy: -89.781
Base-Backbone interact. energy: -1.653
local terms energy: -188.356048
where:
bonds (distance) C4'-P energy: -52.934
bonds (distance) P-C4' energy: -63.735
flat angles C4'-P-C4' energy: -43.535
flat angles P-C4'-P energy: -28.395
tors. eta vs tors. theta energy: 0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -284.619470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.619470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.619470 (E_RNA)
where:
Base-Base interactions energy: -115.012
where: short stacking energy: -83.336
Base-Backbone interact. energy: -0.104
local terms energy: -169.503206
where:
bonds (distance) C4'-P energy: -45.590
bonds (distance) P-C4' energy: -56.738
flat angles C4'-P-C4' energy: -51.021
flat angles P-C4'-P energy: -23.591
tors. eta vs tors. theta energy: 7.438
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: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -756.921116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.921116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.921116 (E_RNA)
where:
Base-Base interactions energy: -463.252
where: short stacking energy: -251.103
Base-Backbone interact. energy: -3.385
local terms energy: -290.284520
where:
bonds (distance) C4'-P energy: -60.865
bonds (distance) P-C4' energy: -65.981
flat angles C4'-P-C4' energy: -65.794
flat angles P-C4'-P energy: -38.566
tors. eta vs tors. theta energy: -59.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -559.187347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.187347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.187347 (E_RNA)
where:
Base-Base interactions energy: -283.563
where: short stacking energy: -194.490
Base-Backbone interact. energy: -0.225
local terms energy: -275.398927
where:
bonds (distance) C4'-P energy: -64.910
bonds (distance) P-C4' energy: -58.438
flat angles C4'-P-C4' energy: -62.189
flat angles P-C4'-P energy: -41.666
tors. eta vs tors. theta energy: -48.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -490.548757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.548757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.548757 (E_RNA)
where:
Base-Base interactions energy: -243.945
where: short stacking energy: -190.114
Base-Backbone interact. energy: -0.815
local terms energy: -245.788395
where:
bonds (distance) C4'-P energy: -58.965
bonds (distance) P-C4' energy: -58.092
flat angles C4'-P-C4' energy: -58.444
flat angles P-C4'-P energy: -35.129
tors. eta vs tors. theta energy: -35.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -440.568366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.568366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.568366 (E_RNA)
where:
Base-Base interactions energy: -179.373
where: short stacking energy: -159.435
Base-Backbone interact. energy: -0.124
local terms energy: -261.072234
where:
bonds (distance) C4'-P energy: -62.270
bonds (distance) P-C4' energy: -68.146
flat angles C4'-P-C4' energy: -61.871
flat angles P-C4'-P energy: -40.927
tors. eta vs tors. theta energy: -27.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -491.749547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.749547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.749547 (E_RNA)
where:
Base-Base interactions energy: -248.722
where: short stacking energy: -165.678
Base-Backbone interact. energy: -1.868
local terms energy: -241.305684
where:
bonds (distance) C4'-P energy: -59.246
bonds (distance) P-C4' energy: -61.849
flat angles C4'-P-C4' energy: -63.687
flat angles P-C4'-P energy: -30.453
tors. eta vs tors. theta energy: -26.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.146 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -382.282164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.282164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.282164 (E_RNA)
where:
Base-Base interactions energy: -152.534
where: short stacking energy: -127.488
Base-Backbone interact. energy: -0.701
local terms energy: -229.046285
where:
bonds (distance) C4'-P energy: -53.066
bonds (distance) P-C4' energy: -63.774
flat angles C4'-P-C4' energy: -55.409
flat angles P-C4'-P energy: -33.761
tors. eta vs tors. theta energy: -23.036
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: 7, replica: 5
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -325.328846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.328846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.328846 (E_RNA)
where:
Base-Base interactions energy: -121.652
where: short stacking energy: -105.904
Base-Backbone interact. energy: 0.621
local terms energy: -204.298683
where:
bonds (distance) C4'-P energy: -54.373
bonds (distance) P-C4' energy: -54.667
flat angles C4'-P-C4' energy: -51.469
flat angles P-C4'-P energy: -39.490
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -325.408667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.408667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.408667 (E_RNA)
where:
Base-Base interactions energy: -124.617
where: short stacking energy: -106.704
Base-Backbone interact. energy: 0.700
local terms energy: -201.491139
where:
bonds (distance) C4'-P energy: -53.586
bonds (distance) P-C4' energy: -60.342
flat angles C4'-P-C4' energy: -50.295
flat angles P-C4'-P energy: -29.842
tors. eta vs tors. theta energy: -7.427
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: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -287.740163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.740163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.740163 (E_RNA)
where:
Base-Base interactions energy: -96.216
where: short stacking energy: -83.416
Base-Backbone interact. energy: -1.222
local terms energy: -190.302113
where:
bonds (distance) C4'-P energy: -58.553
bonds (distance) P-C4' energy: -59.877
flat angles C4'-P-C4' energy: -48.810
flat angles P-C4'-P energy: -28.243
tors. eta vs tors. theta energy: 5.180
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: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -286.266236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.266236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.266236 (E_RNA)
where:
Base-Base interactions energy: -91.565
where: short stacking energy: -74.539
Base-Backbone interact. energy: -0.163
local terms energy: -194.538923
where:
bonds (distance) C4'-P energy: -59.644
bonds (distance) P-C4' energy: -70.561
flat angles C4'-P-C4' energy: -46.194
flat angles P-C4'-P energy: -29.935
tors. eta vs tors. theta energy: 11.795
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: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -734.834495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.834495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.834495 (E_RNA)
where:
Base-Base interactions energy: -419.086
where: short stacking energy: -238.205
Base-Backbone interact. energy: -3.944
local terms energy: -311.805112
where:
bonds (distance) C4'-P energy: -69.717
bonds (distance) P-C4' energy: -65.474
flat angles C4'-P-C4' energy: -73.287
flat angles P-C4'-P energy: -48.673
tors. eta vs tors. theta energy: -54.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -638.447225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.447225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.447225 (E_RNA)
where:
Base-Base interactions energy: -345.867
where: short stacking energy: -236.354
Base-Backbone interact. energy: -0.823
local terms energy: -291.756632
where:
bonds (distance) C4'-P energy: -63.383
bonds (distance) P-C4' energy: -63.872
flat angles C4'-P-C4' energy: -61.669
flat angles P-C4'-P energy: -49.185
tors. eta vs tors. theta energy: -53.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -476.555084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.555084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.555084 (E_RNA)
where:
Base-Base interactions energy: -220.406
where: short stacking energy: -181.240
Base-Backbone interact. energy: -0.493
local terms energy: -255.655584
where:
bonds (distance) C4'-P energy: -57.646
bonds (distance) P-C4' energy: -69.221
flat angles C4'-P-C4' energy: -57.579
flat angles P-C4'-P energy: -35.607
tors. eta vs tors. theta energy: -35.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -588.945263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.945263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.945263 (E_RNA)
where:
Base-Base interactions energy: -325.294
where: short stacking energy: -201.139
Base-Backbone interact. energy: -1.080
local terms energy: -262.570984
where:
bonds (distance) C4'-P energy: -66.116
bonds (distance) P-C4' energy: -65.140
flat angles C4'-P-C4' energy: -63.626
flat angles P-C4'-P energy: -31.600
tors. eta vs tors. theta energy: -36.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -401.227415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.227415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.227415 (E_RNA)
where:
Base-Base interactions energy: -157.125
where: short stacking energy: -149.587
Base-Backbone interact. energy: -1.162
local terms energy: -242.940866
where:
bonds (distance) C4'-P energy: -61.448
bonds (distance) P-C4' energy: -59.523
flat angles C4'-P-C4' energy: -57.290
flat angles P-C4'-P energy: -34.730
tors. eta vs tors. theta energy: -29.951
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: 8
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -487.209625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.209625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.209625 (E_RNA)
where:
Base-Base interactions energy: -257.432
where: short stacking energy: -154.102
Base-Backbone interact. energy: -1.113
local terms energy: -228.664807
where:
bonds (distance) C4'-P energy: -49.618
bonds (distance) P-C4' energy: -58.628
flat angles C4'-P-C4' energy: -56.530
flat angles P-C4'-P energy: -44.217
tors. eta vs tors. theta energy: -19.672
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: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -419.338094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.338094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.338094 (E_RNA)
where:
Base-Base interactions energy: -180.719
where: short stacking energy: -124.585
Base-Backbone interact. energy: 1.039
local terms energy: -239.657364
where:
bonds (distance) C4'-P energy: -52.604
bonds (distance) P-C4' energy: -64.805
flat angles C4'-P-C4' energy: -55.535
flat angles P-C4'-P energy: -42.155
tors. eta vs tors. theta energy: -24.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -321.087950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.087950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.087950 (E_RNA)
where:
Base-Base interactions energy: -119.396
where: short stacking energy: -96.254
Base-Backbone interact. energy: 0.188
local terms energy: -201.879533
where:
bonds (distance) C4'-P energy: -50.137
bonds (distance) P-C4' energy: -72.722
flat angles C4'-P-C4' energy: -41.848
flat angles P-C4'-P energy: -37.507
tors. eta vs tors. theta energy: 0.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -275.202114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.202114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.202114 (E_RNA)
where:
Base-Base interactions energy: -103.359
where: short stacking energy: -89.193
Base-Backbone interact. energy: -1.159
local terms energy: -170.683501
where:
bonds (distance) C4'-P energy: -48.577
bonds (distance) P-C4' energy: -54.682
flat angles C4'-P-C4' energy: -42.330
flat angles P-C4'-P energy: -28.555
tors. eta vs tors. theta energy: 3.461
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: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -262.934589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.934589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.934589 (E_RNA)
where:
Base-Base interactions energy: -100.276
where: short stacking energy: -87.241
Base-Backbone interact. energy: -0.440
local terms energy: -162.219178
where:
bonds (distance) C4'-P energy: -55.977
bonds (distance) P-C4' energy: -51.203
flat angles C4'-P-C4' energy: -36.596
flat angles P-C4'-P energy: -26.816
tors. eta vs tors. theta energy: 8.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -783.192761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.192761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.192761 (E_RNA)
where:
Base-Base interactions energy: -472.694
where: short stacking energy: -251.150
Base-Backbone interact. energy: -0.173
local terms energy: -310.325849
where:
bonds (distance) C4'-P energy: -63.668
bonds (distance) P-C4' energy: -64.191
flat angles C4'-P-C4' energy: -64.960
flat angles P-C4'-P energy: -47.284
tors. eta vs tors. theta energy: -70.223
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: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -666.273233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.273233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.273233 (E_RNA)
where:
Base-Base interactions energy: -387.528
where: short stacking energy: -253.925
Base-Backbone interact. energy: -0.598
local terms energy: -278.147469
where:
bonds (distance) C4'-P energy: -68.416
bonds (distance) P-C4' energy: -58.257
flat angles C4'-P-C4' energy: -49.044
flat angles P-C4'-P energy: -39.181
tors. eta vs tors. theta energy: -63.249
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: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -598.712424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.712424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.712424 (E_RNA)
where:
Base-Base interactions energy: -352.039
where: short stacking energy: -205.672
Base-Backbone interact. energy: 2.334
local terms energy: -249.007279
where:
bonds (distance) C4'-P energy: -47.282
bonds (distance) P-C4' energy: -67.328
flat angles C4'-P-C4' energy: -60.686
flat angles P-C4'-P energy: -32.579
tors. eta vs tors. theta energy: -41.133
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: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -519.786862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.786862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.786862 (E_RNA)
where:
Base-Base interactions energy: -255.488
where: short stacking energy: -193.615
Base-Backbone interact. energy: -3.271
local terms energy: -261.028197
where:
bonds (distance) C4'-P energy: -61.173
bonds (distance) P-C4' energy: -57.571
flat angles C4'-P-C4' energy: -62.612
flat angles P-C4'-P energy: -47.305
tors. eta vs tors. theta energy: -32.368
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: 8
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -551.345326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.345326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.345326 (E_RNA)
where:
Base-Base interactions energy: -306.821
where: short stacking energy: -167.159
Base-Backbone interact. energy: -0.517
local terms energy: -244.007211
where:
bonds (distance) C4'-P energy: -55.562
bonds (distance) P-C4' energy: -67.801
flat angles C4'-P-C4' energy: -55.406
flat angles P-C4'-P energy: -29.007
tors. eta vs tors. theta energy: -36.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -371.643971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.643971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.643971 (E_RNA)
where:
Base-Base interactions energy: -171.633
where: short stacking energy: -127.478
Base-Backbone interact. energy: -1.516
local terms energy: -198.495675
where:
bonds (distance) C4'-P energy: -46.961
bonds (distance) P-C4' energy: -54.838
flat angles C4'-P-C4' energy: -61.469
flat angles P-C4'-P energy: -23.805
tors. eta vs tors. theta energy: -11.422
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: 5
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -398.652983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.652983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.652983 (E_RNA)
where:
Base-Base interactions energy: -196.708
where: short stacking energy: -136.648
Base-Backbone interact. energy: 1.874
local terms energy: -203.819118
where:
bonds (distance) C4'-P energy: -52.023
bonds (distance) P-C4' energy: -67.471
flat angles C4'-P-C4' energy: -42.390
flat angles P-C4'-P energy: -30.132
tors. eta vs tors. theta energy: -11.803
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: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -309.690598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.690598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.690598 (E_RNA)
where:
Base-Base interactions energy: -128.693
where: short stacking energy: -90.509
Base-Backbone interact. energy: 4.929
local terms energy: -185.926319
where:
bonds (distance) C4'-P energy: -64.386
bonds (distance) P-C4' energy: -58.164
flat angles C4'-P-C4' energy: -43.640
flat angles P-C4'-P energy: -24.321
tors. eta vs tors. theta energy: 4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -292.831919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.831919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.831919 (E_RNA)
where:
Base-Base interactions energy: -109.079
where: short stacking energy: -79.568
Base-Backbone interact. energy: -0.570
local terms energy: -183.183862
where:
bonds (distance) C4'-P energy: -54.599
bonds (distance) P-C4' energy: -60.829
flat angles C4'-P-C4' energy: -55.824
flat angles P-C4'-P energy: -22.509
tors. eta vs tors. theta energy: 10.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -264.306488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.306488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.306488 (E_RNA)
where:
Base-Base interactions energy: -96.747
where: short stacking energy: -67.710
Base-Backbone interact. energy: 0.342
local terms energy: -167.901041
where:
bonds (distance) C4'-P energy: -53.532
bonds (distance) P-C4' energy: -53.642
flat angles C4'-P-C4' energy: -45.336
flat angles P-C4'-P energy: -32.776
tors. eta vs tors. theta energy: 17.385
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: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -832.274314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.274314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.274314 (E_RNA)
where:
Base-Base interactions energy: -519.029
where: short stacking energy: -272.036
Base-Backbone interact. energy: -1.368
local terms energy: -311.877604
where:
bonds (distance) C4'-P energy: -61.351
bonds (distance) P-C4' energy: -67.989
flat angles C4'-P-C4' energy: -59.972
flat angles P-C4'-P energy: -50.347
tors. eta vs tors. theta energy: -72.219
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: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -649.772043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.772043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.772043 (E_RNA)
where:
Base-Base interactions energy: -368.612
where: short stacking energy: -237.540
Base-Backbone interact. energy: 1.663
local terms energy: -282.822929
where:
bonds (distance) C4'-P energy: -63.760
bonds (distance) P-C4' energy: -63.635
flat angles C4'-P-C4' energy: -58.637
flat angles P-C4'-P energy: -42.193
tors. eta vs tors. theta energy: -54.598
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: 7
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -645.960719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.960719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.960719 (E_RNA)
where:
Base-Base interactions energy: -364.291
where: short stacking energy: -217.087
Base-Backbone interact. energy: 1.427
local terms energy: -283.097183
where:
bonds (distance) C4'-P energy: -66.004
bonds (distance) P-C4' energy: -60.605
flat angles C4'-P-C4' energy: -64.804
flat angles P-C4'-P energy: -43.522
tors. eta vs tors. theta energy: -48.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -674.486320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.486320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.486320 (E_RNA)
where:
Base-Base interactions energy: -397.811
where: short stacking energy: -212.449
Base-Backbone interact. energy: -0.970
local terms energy: -275.705034
where:
bonds (distance) C4'-P energy: -64.177
bonds (distance) P-C4' energy: -63.895
flat angles C4'-P-C4' energy: -62.873
flat angles P-C4'-P energy: -41.132
tors. eta vs tors. theta energy: -43.629
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: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -471.792024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.792024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.792024 (E_RNA)
where:
Base-Base interactions energy: -223.117
where: short stacking energy: -155.281
Base-Backbone interact. energy: 0.463
local terms energy: -249.137941
where:
bonds (distance) C4'-P energy: -60.422
bonds (distance) P-C4' energy: -55.179
flat angles C4'-P-C4' energy: -56.693
flat angles P-C4'-P energy: -45.334
tors. eta vs tors. theta energy: -31.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -504.140766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.140766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.140766 (E_RNA)
where:
Base-Base interactions energy: -273.875
where: short stacking energy: -164.392
Base-Backbone interact. energy: -1.222
local terms energy: -229.043627
where:
bonds (distance) C4'-P energy: -59.959
bonds (distance) P-C4' energy: -66.728
flat angles C4'-P-C4' energy: -51.867
flat angles P-C4'-P energy: -19.794
tors. eta vs tors. theta energy: -30.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -432.622382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.622382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.622382 (E_RNA)
where:
Base-Base interactions energy: -211.705
where: short stacking energy: -120.327
Base-Backbone interact. energy: -0.083
local terms energy: -220.833916
where:
bonds (distance) C4'-P energy: -44.150
bonds (distance) P-C4' energy: -69.008
flat angles C4'-P-C4' energy: -50.117
flat angles P-C4'-P energy: -43.845
tors. eta vs tors. theta energy: -13.714
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: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -378.079880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.079880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.079880 (E_RNA)
where:
Base-Base interactions energy: -171.434
where: short stacking energy: -123.339
Base-Backbone interact. energy: -2.688
local terms energy: -203.957814
where:
bonds (distance) C4'-P energy: -53.314
bonds (distance) P-C4' energy: -61.029
flat angles C4'-P-C4' energy: -57.584
flat angles P-C4'-P energy: -26.692
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -305.022772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.022772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.022772 (E_RNA)
where:
Base-Base interactions energy: -113.281
where: short stacking energy: -86.517
Base-Backbone interact. energy: 0.467
local terms energy: -192.208240
where:
bonds (distance) C4'-P energy: -48.979
bonds (distance) P-C4' energy: -70.484
flat angles C4'-P-C4' energy: -45.089
flat angles P-C4'-P energy: -31.099
tors. eta vs tors. theta energy: 3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -271.542735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.542735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.542735 (E_RNA)
where:
Base-Base interactions energy: -81.210
where: short stacking energy: -69.486
Base-Backbone interact. energy: -2.696
local terms energy: -187.636396
where:
bonds (distance) C4'-P energy: -62.097
bonds (distance) P-C4' energy: -51.670
flat angles C4'-P-C4' energy: -57.501
flat angles P-C4'-P energy: -19.429
tors. eta vs tors. theta energy: 3.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -841.689606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.689606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.689606 (E_RNA)
where:
Base-Base interactions energy: -533.660
where: short stacking energy: -284.638
Base-Backbone interact. energy: -0.654
local terms energy: -307.375304
where:
bonds (distance) C4'-P energy: -66.379
bonds (distance) P-C4' energy: -60.658
flat angles C4'-P-C4' energy: -65.631
flat angles P-C4'-P energy: -37.109
tors. eta vs tors. theta energy: -77.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -665.626980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.626980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.626980 (E_RNA)
where:
Base-Base interactions energy: -362.382
where: short stacking energy: -225.419
Base-Backbone interact. energy: -0.617
local terms energy: -302.627599
where:
bonds (distance) C4'-P energy: -69.866
bonds (distance) P-C4' energy: -63.652
flat angles C4'-P-C4' energy: -73.364
flat angles P-C4'-P energy: -40.607
tors. eta vs tors. theta energy: -55.139
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: 8
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -738.571857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.571857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.571857 (E_RNA)
where:
Base-Base interactions energy: -436.146
where: short stacking energy: -239.909
Base-Backbone interact. energy: -1.345
local terms energy: -301.080589
where:
bonds (distance) C4'-P energy: -53.036
bonds (distance) P-C4' energy: -65.445
flat angles C4'-P-C4' energy: -68.199
flat angles P-C4'-P energy: -56.321
tors. eta vs tors. theta energy: -58.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -594.358360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.358360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.358360 (E_RNA)
where:
Base-Base interactions energy: -344.786
where: short stacking energy: -197.541
Base-Backbone interact. energy: 1.243
local terms energy: -250.815557
where:
bonds (distance) C4'-P energy: -65.364
bonds (distance) P-C4' energy: -43.539
flat angles C4'-P-C4' energy: -61.142
flat angles P-C4'-P energy: -47.390
tors. eta vs tors. theta energy: -33.381
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: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -592.951571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.951571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.951571 (E_RNA)
where:
Base-Base interactions energy: -340.983
where: short stacking energy: -167.295
Base-Backbone interact. energy: -1.344
local terms energy: -250.624638
where:
bonds (distance) C4'-P energy: -47.195
bonds (distance) P-C4' energy: -63.591
flat angles C4'-P-C4' energy: -65.662
flat angles P-C4'-P energy: -43.531
tors. eta vs tors. theta energy: -30.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -459.617690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.617690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.617690 (E_RNA)
where:
Base-Base interactions energy: -227.232
where: short stacking energy: -144.469
Base-Backbone interact. energy: 0.692
local terms energy: -233.077325
where:
bonds (distance) C4'-P energy: -58.361
bonds (distance) P-C4' energy: -54.619
flat angles C4'-P-C4' energy: -60.214
flat angles P-C4'-P energy: -32.956
tors. eta vs tors. theta energy: -26.927
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: 5
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -435.283334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.283334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.283334 (E_RNA)
where:
Base-Base interactions energy: -222.165
where: short stacking energy: -146.803
Base-Backbone interact. energy: -1.171
local terms energy: -211.948194
where:
bonds (distance) C4'-P energy: -56.315
bonds (distance) P-C4' energy: -54.893
flat angles C4'-P-C4' energy: -51.058
flat angles P-C4'-P energy: -35.732
tors. eta vs tors. theta energy: -13.950
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: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -362.439352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.439352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.439352 (E_RNA)
where:
Base-Base interactions energy: -183.388
where: short stacking energy: -122.010
Base-Backbone interact. energy: -0.915
local terms energy: -178.136478
where:
bonds (distance) C4'-P energy: -33.271
bonds (distance) P-C4' energy: -58.579
flat angles C4'-P-C4' energy: -51.537
flat angles P-C4'-P energy: -29.080
tors. eta vs tors. theta energy: -5.669
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: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -281.901991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.901991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.901991 (E_RNA)
where:
Base-Base interactions energy: -102.422
where: short stacking energy: -87.829
Base-Backbone interact. energy: -0.293
local terms energy: -179.187518
where:
bonds (distance) C4'-P energy: -60.651
bonds (distance) P-C4' energy: -56.188
flat angles C4'-P-C4' energy: -52.710
flat angles P-C4'-P energy: -21.314
tors. eta vs tors. theta energy: 11.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -266.438358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.438358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.438358 (E_RNA)
where:
Base-Base interactions energy: -90.932
where: short stacking energy: -72.267
Base-Backbone interact. energy: -1.883
local terms energy: -173.623427
where:
bonds (distance) C4'-P energy: -52.620
bonds (distance) P-C4' energy: -63.744
flat angles C4'-P-C4' energy: -48.176
flat angles P-C4'-P energy: -24.049
tors. eta vs tors. theta energy: 14.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -877.815393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.815393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.815393 (E_RNA)
where:
Base-Base interactions energy: -564.026
where: short stacking energy: -267.974
Base-Backbone interact. energy: -1.578
local terms energy: -312.211126
where:
bonds (distance) C4'-P energy: -66.709
bonds (distance) P-C4' energy: -66.593
flat angles C4'-P-C4' energy: -62.596
flat angles P-C4'-P energy: -45.387
tors. eta vs tors. theta energy: -70.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -786.638299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.638299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.638299 (E_RNA)
where:
Base-Base interactions energy: -463.496
where: short stacking energy: -239.790
Base-Backbone interact. energy: -2.278
local terms energy: -320.864287
where:
bonds (distance) C4'-P energy: -59.064
bonds (distance) P-C4' energy: -74.819
flat angles C4'-P-C4' energy: -70.783
flat angles P-C4'-P energy: -46.516
tors. eta vs tors. theta energy: -69.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -646.051786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.051786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.051786 (E_RNA)
where:
Base-Base interactions energy: -360.919
where: short stacking energy: -232.204
Base-Backbone interact. energy: -0.451
local terms energy: -284.682130
where:
bonds (distance) C4'-P energy: -61.619
bonds (distance) P-C4' energy: -62.165
flat angles C4'-P-C4' energy: -70.437
flat angles P-C4'-P energy: -37.970
tors. eta vs tors. theta energy: -52.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -630.244077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.244077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.244077 (E_RNA)
where:
Base-Base interactions energy: -360.735
where: short stacking energy: -195.328
Base-Backbone interact. energy: -0.132
local terms energy: -270.618818
where:
bonds (distance) C4'-P energy: -59.908
bonds (distance) P-C4' energy: -65.399
flat angles C4'-P-C4' energy: -70.307
flat angles P-C4'-P energy: -30.920
tors. eta vs tors. theta energy: -44.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.241 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -602.372712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.372712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.372712 (E_RNA)
where:
Base-Base interactions energy: -346.923
where: short stacking energy: -191.551
Base-Backbone interact. energy: 1.327
local terms energy: -256.776986
where:
bonds (distance) C4'-P energy: -64.348
bonds (distance) P-C4' energy: -63.439
flat angles C4'-P-C4' energy: -48.561
flat angles P-C4'-P energy: -39.849
tors. eta vs tors. theta energy: -40.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -528.090636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.090636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.090636 (E_RNA)
where:
Base-Base interactions energy: -296.316
where: short stacking energy: -136.818
Base-Backbone interact. energy: -1.729
local terms energy: -230.046120
where:
bonds (distance) C4'-P energy: -53.064
bonds (distance) P-C4' energy: -61.764
flat angles C4'-P-C4' energy: -63.062
flat angles P-C4'-P energy: -34.760
tors. eta vs tors. theta energy: -17.396
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: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -439.203628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.203628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.203628 (E_RNA)
where:
Base-Base interactions energy: -237.549
where: short stacking energy: -126.274
Base-Backbone interact. energy: 1.192
local terms energy: -202.846660
where:
bonds (distance) C4'-P energy: -58.817
bonds (distance) P-C4' energy: -55.989
flat angles C4'-P-C4' energy: -55.413
flat angles P-C4'-P energy: -30.965
tors. eta vs tors. theta energy: -1.664
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: 10
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -311.213444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.213444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.213444 (E_RNA)
where:
Base-Base interactions energy: -116.326
where: short stacking energy: -77.244
Base-Backbone interact. energy: -1.315
local terms energy: -193.572057
where:
bonds (distance) C4'-P energy: -63.622
bonds (distance) P-C4' energy: -47.895
flat angles C4'-P-C4' energy: -61.528
flat angles P-C4'-P energy: -28.265
tors. eta vs tors. theta energy: 7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -366.717377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.717377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.717377 (E_RNA)
where:
Base-Base interactions energy: -168.448
where: short stacking energy: -118.222
Base-Backbone interact. energy: 0.462
local terms energy: -198.731492
where:
bonds (distance) C4'-P energy: -63.480
bonds (distance) P-C4' energy: -57.420
flat angles C4'-P-C4' energy: -37.282
flat angles P-C4'-P energy: -31.342
tors. eta vs tors. theta energy: -9.208
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: 6
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -298.887567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.887567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.887567 (E_RNA)
where:
Base-Base interactions energy: -120.434
where: short stacking energy: -89.436
Base-Backbone interact. energy: 1.913
local terms energy: -180.366553
where:
bonds (distance) C4'-P energy: -54.425
bonds (distance) P-C4' energy: -55.366
flat angles C4'-P-C4' energy: -58.427
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: 7.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -875.564335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.564335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.564335 (E_RNA)
where:
Base-Base interactions energy: -563.558
where: short stacking energy: -265.020
Base-Backbone interact. energy: -2.544
local terms energy: -309.462092
where:
bonds (distance) C4'-P energy: -56.895
bonds (distance) P-C4' energy: -77.220
flat angles C4'-P-C4' energy: -66.448
flat angles P-C4'-P energy: -41.723
tors. eta vs tors. theta energy: -67.175
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: 2, replica: 8
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -777.772174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.772174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.772174 (E_RNA)
where:
Base-Base interactions energy: -474.158
where: short stacking energy: -228.614
Base-Backbone interact. energy: -2.050
local terms energy: -301.564145
where:
bonds (distance) C4'-P energy: -57.719
bonds (distance) P-C4' energy: -67.554
flat angles C4'-P-C4' energy: -67.725
flat angles P-C4'-P energy: -50.108
tors. eta vs tors. theta energy: -58.458
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: 3, replica: 7
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -707.565873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.565873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.565873 (E_RNA)
where:
Base-Base interactions energy: -429.172
where: short stacking energy: -231.722
Base-Backbone interact. energy: -0.959
local terms energy: -277.434688
where:
bonds (distance) C4'-P energy: -59.037
bonds (distance) P-C4' energy: -57.516
flat angles C4'-P-C4' energy: -68.154
flat angles P-C4'-P energy: -44.162
tors. eta vs tors. theta energy: -48.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -597.423452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.423452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.423452 (E_RNA)
where:
Base-Base interactions energy: -345.518
where: short stacking energy: -193.427
Base-Backbone interact. energy: 2.811
local terms energy: -254.887688
where:
bonds (distance) C4'-P energy: -50.838
bonds (distance) P-C4' energy: -74.462
flat angles C4'-P-C4' energy: -51.975
flat angles P-C4'-P energy: -39.213
tors. eta vs tors. theta energy: -38.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.171 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -610.051181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.051181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.051181 (E_RNA)
where:
Base-Base interactions energy: -346.960
where: short stacking energy: -179.721
Base-Backbone interact. energy: -0.752
local terms energy: -262.339711
where:
bonds (distance) C4'-P energy: -57.677
bonds (distance) P-C4' energy: -55.037
flat angles C4'-P-C4' energy: -61.897
flat angles P-C4'-P energy: -41.538
tors. eta vs tors. theta energy: -46.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -564.219857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.219857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.219857 (E_RNA)
where:
Base-Base interactions energy: -308.006
where: short stacking energy: -160.124
Base-Backbone interact. energy: -1.054
local terms energy: -255.159380
where:
bonds (distance) C4'-P energy: -65.390
bonds (distance) P-C4' energy: -61.950
flat angles C4'-P-C4' energy: -55.607
flat angles P-C4'-P energy: -34.414
tors. eta vs tors. theta energy: -37.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -432.683470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.683470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.683470 (E_RNA)
where:
Base-Base interactions energy: -207.572
where: short stacking energy: -133.545
Base-Backbone interact. energy: -1.559
local terms energy: -223.552186
where:
bonds (distance) C4'-P energy: -61.873
bonds (distance) P-C4' energy: -55.709
flat angles C4'-P-C4' energy: -53.588
flat angles P-C4'-P energy: -29.608
tors. eta vs tors. theta energy: -22.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -312.629166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.629166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.629166 (E_RNA)
where:
Base-Base interactions energy: -99.875
where: short stacking energy: -84.267
Base-Backbone interact. energy: 0.233
local terms energy: -212.987122
where:
bonds (distance) C4'-P energy: -54.959
bonds (distance) P-C4' energy: -70.678
flat angles C4'-P-C4' energy: -44.314
flat angles P-C4'-P energy: -40.214
tors. eta vs tors. theta energy: -2.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -341.551549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.551549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.551549 (E_RNA)
where:
Base-Base interactions energy: -146.843
where: short stacking energy: -97.290
Base-Backbone interact. energy: -1.363
local terms energy: -194.085418
where:
bonds (distance) C4'-P energy: -61.863
bonds (distance) P-C4' energy: -55.340
flat angles C4'-P-C4' energy: -51.460
flat angles P-C4'-P energy: -26.594
tors. eta vs tors. theta energy: 1.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.740 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -273.761343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.761343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.761343 (E_RNA)
where:
Base-Base interactions energy: -116.214
where: short stacking energy: -62.252
Base-Backbone interact. energy: -1.509
local terms energy: -156.038345
where:
bonds (distance) C4'-P energy: -50.423
bonds (distance) P-C4' energy: -50.485
flat angles C4'-P-C4' energy: -44.091
flat angles P-C4'-P energy: -33.274
tors. eta vs tors. theta energy: 22.235
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: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -884.752974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.752974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.752974 (E_RNA)
where:
Base-Base interactions energy: -567.126
where: short stacking energy: -268.497
Base-Backbone interact. energy: -0.763
local terms energy: -316.863452
where:
bonds (distance) C4'-P energy: -61.915
bonds (distance) P-C4' energy: -73.389
flat angles C4'-P-C4' energy: -67.361
flat angles P-C4'-P energy: -44.792
tors. eta vs tors. theta energy: -69.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -783.379559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.379559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.379559 (E_RNA)
where:
Base-Base interactions energy: -485.640
where: short stacking energy: -249.409
Base-Backbone interact. energy: -0.660
local terms energy: -297.079009
where:
bonds (distance) C4'-P energy: -66.063
bonds (distance) P-C4' energy: -56.845
flat angles C4'-P-C4' energy: -59.310
flat angles P-C4'-P energy: -52.819
tors. eta vs tors. theta energy: -62.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -763.033122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.033122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.033122 (E_RNA)
where:
Base-Base interactions energy: -487.324
where: short stacking energy: -228.258
Base-Backbone interact. energy: 1.645
local terms energy: -277.354466
where:
bonds (distance) C4'-P energy: -63.230
bonds (distance) P-C4' energy: -61.375
flat angles C4'-P-C4' energy: -57.265
flat angles P-C4'-P energy: -45.844
tors. eta vs tors. theta energy: -49.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -652.833395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.833395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.833395 (E_RNA)
where:
Base-Base interactions energy: -392.035
where: short stacking energy: -182.407
Base-Backbone interact. energy: -0.411
local terms energy: -260.388085
where:
bonds (distance) C4'-P energy: -49.977
bonds (distance) P-C4' energy: -60.401
flat angles C4'-P-C4' energy: -60.074
flat angles P-C4'-P energy: -42.680
tors. eta vs tors. theta energy: -47.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -576.006343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.006343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.006343 (E_RNA)
where:
Base-Base interactions energy: -311.359
where: short stacking energy: -192.113
Base-Backbone interact. energy: 7.126
local terms energy: -271.773240
where:
bonds (distance) C4'-P energy: -55.434
bonds (distance) P-C4' energy: -61.316
flat angles C4'-P-C4' energy: -66.252
flat angles P-C4'-P energy: -43.970
tors. eta vs tors. theta energy: -44.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -593.334328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.334328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.334328 (E_RNA)
where:
Base-Base interactions energy: -343.064
where: short stacking energy: -186.070
Base-Backbone interact. energy: -1.378
local terms energy: -248.891782
where:
bonds (distance) C4'-P energy: -57.973
bonds (distance) P-C4' energy: -55.708
flat angles C4'-P-C4' energy: -49.744
flat angles P-C4'-P energy: -45.117
tors. eta vs tors. theta energy: -40.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -460.053073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.053073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.053073 (E_RNA)
where:
Base-Base interactions energy: -240.193
where: short stacking energy: -149.735
Base-Backbone interact. energy: -0.277
local terms energy: -219.582852
where:
bonds (distance) C4'-P energy: -58.831
bonds (distance) P-C4' energy: -46.712
flat angles C4'-P-C4' energy: -64.991
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -32.522
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: 8, replica: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -363.615599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.615599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.615599 (E_RNA)
where:
Base-Base interactions energy: -170.014
where: short stacking energy: -115.512
Base-Backbone interact. energy: 5.395
local terms energy: -198.996762
where:
bonds (distance) C4'-P energy: -55.899
bonds (distance) P-C4' energy: -56.446
flat angles C4'-P-C4' energy: -54.932
flat angles P-C4'-P energy: -28.026
tors. eta vs tors. theta energy: -3.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -302.811201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.811201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.811201 (E_RNA)
where:
Base-Base interactions energy: -107.346
where: short stacking energy: -95.369
Base-Backbone interact. energy: 3.450
local terms energy: -198.915754
where:
bonds (distance) C4'-P energy: -50.744
bonds (distance) P-C4' energy: -49.702
flat angles C4'-P-C4' energy: -50.804
flat angles P-C4'-P energy: -40.082
tors. eta vs tors. theta energy: -7.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -269.387499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.387499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.387499 (E_RNA)
where:
Base-Base interactions energy: -125.329
where: short stacking energy: -99.010
Base-Backbone interact. energy: -1.888
local terms energy: -142.170311
where:
bonds (distance) C4'-P energy: -29.994
bonds (distance) P-C4' energy: -54.362
flat angles C4'-P-C4' energy: -45.591
flat angles P-C4'-P energy: -19.640
tors. eta vs tors. theta energy: 7.417
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: 3
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -895.604953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.604953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.604953 (E_RNA)
where:
Base-Base interactions energy: -580.161
where: short stacking energy: -279.473
Base-Backbone interact. energy: -0.757
local terms energy: -314.687316
where:
bonds (distance) C4'-P energy: -66.600
bonds (distance) P-C4' energy: -68.929
flat angles C4'-P-C4' energy: -69.665
flat angles P-C4'-P energy: -33.609
tors. eta vs tors. theta energy: -75.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -806.414718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.414718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.414718 (E_RNA)
where:
Base-Base interactions energy: -476.870
where: short stacking energy: -242.322
Base-Backbone interact. energy: 0.683
local terms energy: -330.228611
where:
bonds (distance) C4'-P energy: -61.064
bonds (distance) P-C4' energy: -67.095
flat angles C4'-P-C4' energy: -74.716
flat angles P-C4'-P energy: -46.069
tors. eta vs tors. theta energy: -81.285
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: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -752.631357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.631357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.631357 (E_RNA)
where:
Base-Base interactions energy: -474.514
where: short stacking energy: -231.847
Base-Backbone interact. energy: -1.016
local terms energy: -277.101560
where:
bonds (distance) C4'-P energy: -64.929
bonds (distance) P-C4' energy: -59.989
flat angles C4'-P-C4' energy: -62.702
flat angles P-C4'-P energy: -36.142
tors. eta vs tors. theta energy: -53.340
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: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -682.235148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.235148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.235148 (E_RNA)
where:
Base-Base interactions energy: -420.758
where: short stacking energy: -202.517
Base-Backbone interact. energy: 1.654
local terms energy: -263.131470
where:
bonds (distance) C4'-P energy: -54.801
bonds (distance) P-C4' energy: -59.560
flat angles C4'-P-C4' energy: -66.909
flat angles P-C4'-P energy: -39.108
tors. eta vs tors. theta energy: -42.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -649.199411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.199411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.199411 (E_RNA)
where:
Base-Base interactions energy: -372.777
where: short stacking energy: -215.884
Base-Backbone interact. energy: -0.688
local terms energy: -275.734683
where:
bonds (distance) C4'-P energy: -57.206
bonds (distance) P-C4' energy: -60.062
flat angles C4'-P-C4' energy: -67.147
flat angles P-C4'-P energy: -39.555
tors. eta vs tors. theta energy: -51.764
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: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -533.524743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.524743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.524743 (E_RNA)
where:
Base-Base interactions energy: -309.023
where: short stacking energy: -161.801
Base-Backbone interact. energy: 0.214
local terms energy: -224.715343
where:
bonds (distance) C4'-P energy: -50.100
bonds (distance) P-C4' energy: -39.990
flat angles C4'-P-C4' energy: -53.043
flat angles P-C4'-P energy: -38.524
tors. eta vs tors. theta energy: -43.058
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: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -386.499565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.499565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.499565 (E_RNA)
where:
Base-Base interactions energy: -185.818
where: short stacking energy: -130.352
Base-Backbone interact. energy: -0.407
local terms energy: -200.273975
where:
bonds (distance) C4'-P energy: -56.715
bonds (distance) P-C4' energy: -54.795
flat angles C4'-P-C4' energy: -56.384
flat angles P-C4'-P energy: -27.363
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -449.353868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.353868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.353868 (E_RNA)
where:
Base-Base interactions energy: -234.980
where: short stacking energy: -132.767
Base-Backbone interact. energy: 2.597
local terms energy: -216.971122
where:
bonds (distance) C4'-P energy: -55.547
bonds (distance) P-C4' energy: -62.894
flat angles C4'-P-C4' energy: -52.121
flat angles P-C4'-P energy: -34.831
tors. eta vs tors. theta energy: -11.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -293.418616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.418616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.418616 (E_RNA)
where:
Base-Base interactions energy: -94.062
where: short stacking energy: -83.291
Base-Backbone interact. energy: -1.086
local terms energy: -198.270498
where:
bonds (distance) C4'-P energy: -56.627
bonds (distance) P-C4' energy: -60.136
flat angles C4'-P-C4' energy: -41.983
flat angles P-C4'-P energy: -33.828
tors. eta vs tors. theta energy: -5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -270.305225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.305225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.305225 (E_RNA)
where:
Base-Base interactions energy: -110.053
where: short stacking energy: -83.996
Base-Backbone interact. energy: 1.429
local terms energy: -161.681030
where:
bonds (distance) C4'-P energy: -38.170
bonds (distance) P-C4' energy: -53.495
flat angles C4'-P-C4' energy: -39.991
flat angles P-C4'-P energy: -35.739
tors. eta vs tors. theta energy: 5.715
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: 3
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -883.275932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.275932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.275932 (E_RNA)
where:
Base-Base interactions energy: -556.764
where: short stacking energy: -262.872
Base-Backbone interact. energy: 0.346
local terms energy: -326.857848
where:
bonds (distance) C4'-P energy: -66.096
bonds (distance) P-C4' energy: -73.545
flat angles C4'-P-C4' energy: -70.561
flat angles P-C4'-P energy: -45.124
tors. eta vs tors. theta energy: -71.533
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: 8
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -825.390392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.390392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.390392 (E_RNA)
where:
Base-Base interactions energy: -504.406
where: short stacking energy: -252.794
Base-Backbone interact. energy: 0.420
local terms energy: -321.404247
where:
bonds (distance) C4'-P energy: -64.066
bonds (distance) P-C4' energy: -72.499
flat angles C4'-P-C4' energy: -70.790
flat angles P-C4'-P energy: -48.104
tors. eta vs tors. theta energy: -65.944
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: 3, replica: 7
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -741.291008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.291008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.291008 (E_RNA)
where:
Base-Base interactions energy: -447.683
where: short stacking energy: -216.240
Base-Backbone interact. energy: -0.921
local terms energy: -293.281130
where:
bonds (distance) C4'-P energy: -59.770
bonds (distance) P-C4' energy: -72.800
flat angles C4'-P-C4' energy: -63.473
flat angles P-C4'-P energy: -35.473
tors. eta vs tors. theta energy: -61.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.594 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -676.934421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.934421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.934421 (E_RNA)
where:
Base-Base interactions energy: -396.494
where: short stacking energy: -206.348
Base-Backbone interact. energy: -0.694
local terms energy: -279.746641
where:
bonds (distance) C4'-P energy: -59.794
bonds (distance) P-C4' energy: -63.023
flat angles C4'-P-C4' energy: -61.467
flat angles P-C4'-P energy: -49.370
tors. eta vs tors. theta energy: -46.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -614.876379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.876379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.876379 (E_RNA)
where:
Base-Base interactions energy: -347.645
where: short stacking energy: -176.672
Base-Backbone interact. energy: -1.563
local terms energy: -265.668404
where:
bonds (distance) C4'-P energy: -53.512
bonds (distance) P-C4' energy: -63.201
flat angles C4'-P-C4' energy: -56.889
flat angles P-C4'-P energy: -44.608
tors. eta vs tors. theta energy: -47.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -559.618327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.618327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.618327 (E_RNA)
where:
Base-Base interactions energy: -328.502
where: short stacking energy: -190.096
Base-Backbone interact. energy: 3.791
local terms energy: -234.907578
where:
bonds (distance) C4'-P energy: -56.714
bonds (distance) P-C4' energy: -57.210
flat angles C4'-P-C4' energy: -52.053
flat angles P-C4'-P energy: -32.703
tors. eta vs tors. theta energy: -36.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -427.608443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.608443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.608443 (E_RNA)
where:
Base-Base interactions energy: -213.219
where: short stacking energy: -108.726
Base-Backbone interact. energy: -1.375
local terms energy: -213.014308
where:
bonds (distance) C4'-P energy: -53.339
bonds (distance) P-C4' energy: -69.932
flat angles C4'-P-C4' energy: -57.194
flat angles P-C4'-P energy: -32.260
tors. eta vs tors. theta energy: -0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -424.332763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.332763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.332763 (E_RNA)
where:
Base-Base interactions energy: -222.093
where: short stacking energy: -117.099
Base-Backbone interact. energy: 0.401
local terms energy: -202.640932
where:
bonds (distance) C4'-P energy: -58.756
bonds (distance) P-C4' energy: -48.085
flat angles C4'-P-C4' energy: -46.602
flat angles P-C4'-P energy: -36.783
tors. eta vs tors. theta energy: -12.415
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: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -319.889892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.889892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.889892 (E_RNA)
where:
Base-Base interactions energy: -126.511
where: short stacking energy: -108.546
Base-Backbone interact. energy: 4.772
local terms energy: -198.150556
where:
bonds (distance) C4'-P energy: -45.646
bonds (distance) P-C4' energy: -67.675
flat angles C4'-P-C4' energy: -48.562
flat angles P-C4'-P energy: -26.170
tors. eta vs tors. theta energy: -10.099
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: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -299.916176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.916176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.916176 (E_RNA)
where:
Base-Base interactions energy: -123.210
where: short stacking energy: -87.938
Base-Backbone interact. energy: 0.328
local terms energy: -177.034157
where:
bonds (distance) C4'-P energy: -53.944
bonds (distance) P-C4' energy: -55.548
flat angles C4'-P-C4' energy: -52.022
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -897.997863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.997863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.997863 (E_RNA)
where:
Base-Base interactions energy: -581.038
where: short stacking energy: -265.214
Base-Backbone interact. energy: -1.269
local terms energy: -315.691015
where:
bonds (distance) C4'-P energy: -61.670
bonds (distance) P-C4' energy: -66.631
flat angles C4'-P-C4' energy: -73.767
flat angles P-C4'-P energy: -42.169
tors. eta vs tors. theta energy: -71.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -843.606363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.606363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.606363 (E_RNA)
where:
Base-Base interactions energy: -534.098
where: short stacking energy: -265.898
Base-Backbone interact. energy: 1.885
local terms energy: -311.392655
where:
bonds (distance) C4'-P energy: -67.699
bonds (distance) P-C4' energy: -59.512
flat angles C4'-P-C4' energy: -66.854
flat angles P-C4'-P energy: -47.219
tors. eta vs tors. theta energy: -70.110
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: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -775.707377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.707377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.707377 (E_RNA)
where:
Base-Base interactions energy: -451.936
where: short stacking energy: -238.484
Base-Backbone interact. energy: 1.263
local terms energy: -325.034280
where:
bonds (distance) C4'-P energy: -65.047
bonds (distance) P-C4' energy: -69.493
flat angles C4'-P-C4' energy: -72.225
flat angles P-C4'-P energy: -44.767
tors. eta vs tors. theta energy: -73.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -688.539662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.539662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.539662 (E_RNA)
where:
Base-Base interactions energy: -417.968
where: short stacking energy: -225.339
Base-Backbone interact. energy: -1.847
local terms energy: -268.724368
where:
bonds (distance) C4'-P energy: -63.703
bonds (distance) P-C4' energy: -54.398
flat angles C4'-P-C4' energy: -60.545
flat angles P-C4'-P energy: -35.297
tors. eta vs tors. theta energy: -54.781
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: 1
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -606.971432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.971432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.971432 (E_RNA)
where:
Base-Base interactions energy: -342.006
where: short stacking energy: -192.086
Base-Backbone interact. energy: -0.094
local terms energy: -264.871131
where:
bonds (distance) C4'-P energy: -53.904
bonds (distance) P-C4' energy: -63.291
flat angles C4'-P-C4' energy: -64.024
flat angles P-C4'-P energy: -38.777
tors. eta vs tors. theta energy: -44.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -580.158173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.158173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.158173 (E_RNA)
where:
Base-Base interactions energy: -352.944
where: short stacking energy: -154.257
Base-Backbone interact. energy: -2.030
local terms energy: -225.184653
where:
bonds (distance) C4'-P energy: -45.161
bonds (distance) P-C4' energy: -63.059
flat angles C4'-P-C4' energy: -62.251
flat angles P-C4'-P energy: -32.432
tors. eta vs tors. theta energy: -22.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -432.657911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.657911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.657911 (E_RNA)
where:
Base-Base interactions energy: -216.116
where: short stacking energy: -119.126
Base-Backbone interact. energy: 0.567
local terms energy: -217.108861
where:
bonds (distance) C4'-P energy: -62.597
bonds (distance) P-C4' energy: -68.049
flat angles C4'-P-C4' energy: -56.023
flat angles P-C4'-P energy: -21.514
tors. eta vs tors. theta energy: -8.925
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: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -397.481295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.481295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.481295 (E_RNA)
where:
Base-Base interactions energy: -205.263
where: short stacking energy: -106.329
Base-Backbone interact. energy: 0.721
local terms energy: -192.939886
where:
bonds (distance) C4'-P energy: -49.878
bonds (distance) P-C4' energy: -58.541
flat angles C4'-P-C4' energy: -50.184
flat angles P-C4'-P energy: -28.290
tors. eta vs tors. theta energy: -6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -287.794820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.794820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.794820 (E_RNA)
where:
Base-Base interactions energy: -103.728
where: short stacking energy: -93.662
Base-Backbone interact. energy: -1.405
local terms energy: -182.661694
where:
bonds (distance) C4'-P energy: -58.278
bonds (distance) P-C4' energy: -55.585
flat angles C4'-P-C4' energy: -45.687
flat angles P-C4'-P energy: -25.218
tors. eta vs tors. theta energy: 2.106
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: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -247.408589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.408589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.408589 (E_RNA)
where:
Base-Base interactions energy: -83.162
where: short stacking energy: -63.126
Base-Backbone interact. energy: -0.681
local terms energy: -163.565837
where:
bonds (distance) C4'-P energy: -54.315
bonds (distance) P-C4' energy: -53.199
flat angles C4'-P-C4' energy: -47.073
flat angles P-C4'-P energy: -19.295
tors. eta vs tors. theta energy: 10.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -912.745569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.745569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.745569 (E_RNA)
where:
Base-Base interactions energy: -592.827
where: short stacking energy: -289.360
Base-Backbone interact. energy: -1.899
local terms energy: -318.019495
where:
bonds (distance) C4'-P energy: -58.574
bonds (distance) P-C4' energy: -63.149
flat angles C4'-P-C4' energy: -67.978
flat angles P-C4'-P energy: -46.117
tors. eta vs tors. theta energy: -82.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -815.819130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.819130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.819130 (E_RNA)
where:
Base-Base interactions energy: -496.732
where: short stacking energy: -235.815
Base-Backbone interact. energy: -2.079
local terms energy: -317.008497
where:
bonds (distance) C4'-P energy: -70.220
bonds (distance) P-C4' energy: -65.005
flat angles C4'-P-C4' energy: -66.350
flat angles P-C4'-P energy: -48.876
tors. eta vs tors. theta energy: -66.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -777.477779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.477779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.477779 (E_RNA)
where:
Base-Base interactions energy: -492.839
where: short stacking energy: -243.791
Base-Backbone interact. energy: -0.698
local terms energy: -283.940467
where:
bonds (distance) C4'-P energy: -59.103
bonds (distance) P-C4' energy: -65.584
flat angles C4'-P-C4' energy: -65.398
flat angles P-C4'-P energy: -40.869
tors. eta vs tors. theta energy: -52.986
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: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -673.824315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.824315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.824315 (E_RNA)
where:
Base-Base interactions energy: -401.240
where: short stacking energy: -196.823
Base-Backbone interact. energy: 0.546
local terms energy: -273.131030
where:
bonds (distance) C4'-P energy: -63.794
bonds (distance) P-C4' energy: -55.394
flat angles C4'-P-C4' energy: -65.293
flat angles P-C4'-P energy: -34.170
tors. eta vs tors. theta energy: -54.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -606.265995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.265995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.265995 (E_RNA)
where:
Base-Base interactions energy: -347.272
where: short stacking energy: -192.124
Base-Backbone interact. energy: 0.335
local terms energy: -259.329280
where:
bonds (distance) C4'-P energy: -54.723
bonds (distance) P-C4' energy: -61.431
flat angles C4'-P-C4' energy: -63.219
flat angles P-C4'-P energy: -33.078
tors. eta vs tors. theta energy: -46.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -639.204828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.204828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.204828 (E_RNA)
where:
Base-Base interactions energy: -393.263
where: short stacking energy: -197.974
Base-Backbone interact. energy: -0.465
local terms energy: -245.476381
where:
bonds (distance) C4'-P energy: -55.414
bonds (distance) P-C4' energy: -53.888
flat angles C4'-P-C4' energy: -53.474
flat angles P-C4'-P energy: -35.952
tors. eta vs tors. theta energy: -46.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -450.789761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.789761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.789761 (E_RNA)
where:
Base-Base interactions energy: -233.134
where: short stacking energy: -126.855
Base-Backbone interact. energy: -0.601
local terms energy: -217.054745
where:
bonds (distance) C4'-P energy: -60.891
bonds (distance) P-C4' energy: -61.454
flat angles C4'-P-C4' energy: -46.850
flat angles P-C4'-P energy: -38.123
tors. eta vs tors. theta energy: -9.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -301.686645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.686645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.686645 (E_RNA)
where:
Base-Base interactions energy: -99.628
where: short stacking energy: -92.043
Base-Backbone interact. energy: -1.154
local terms energy: -200.904255
where:
bonds (distance) C4'-P energy: -57.165
bonds (distance) P-C4' energy: -54.617
flat angles C4'-P-C4' energy: -46.936
flat angles P-C4'-P energy: -42.664
tors. eta vs tors. theta energy: 0.478
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: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -374.146491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.146491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.146491 (E_RNA)
where:
Base-Base interactions energy: -192.109
where: short stacking energy: -104.127
Base-Backbone interact. energy: -0.792
local terms energy: -181.246130
where:
bonds (distance) C4'-P energy: -50.069
bonds (distance) P-C4' energy: -58.454
flat angles C4'-P-C4' energy: -44.309
flat angles P-C4'-P energy: -31.610
tors. eta vs tors. theta energy: 3.195
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: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -264.946255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.946255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.946255 (E_RNA)
where:
Base-Base interactions energy: -107.218
where: short stacking energy: -85.317
Base-Backbone interact. energy: -1.289
local terms energy: -156.438454
where:
bonds (distance) C4'-P energy: -39.989
bonds (distance) P-C4' energy: -51.390
flat angles C4'-P-C4' energy: -42.320
flat angles P-C4'-P energy: -20.352
tors. eta vs tors. theta energy: -2.387
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: 3
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -895.604791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.604791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.604791 (E_RNA)
where:
Base-Base interactions energy: -585.214
where: short stacking energy: -286.721
Base-Backbone interact. energy: -0.660
local terms energy: -309.731515
where:
bonds (distance) C4'-P energy: -59.368
bonds (distance) P-C4' energy: -56.786
flat angles C4'-P-C4' energy: -68.379
flat angles P-C4'-P energy: -44.776
tors. eta vs tors. theta energy: -80.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -839.277507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.277507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.277507 (E_RNA)
where:
Base-Base interactions energy: -537.412
where: short stacking energy: -258.354
Base-Backbone interact. energy: 0.665
local terms energy: -302.530758
where:
bonds (distance) C4'-P energy: -68.779
bonds (distance) P-C4' energy: -61.927
flat angles C4'-P-C4' energy: -65.169
flat angles P-C4'-P energy: -43.629
tors. eta vs tors. theta energy: -63.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -783.891738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.891738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.891738 (E_RNA)
where:
Base-Base interactions energy: -475.271
where: short stacking energy: -247.749
Base-Backbone interact. energy: -1.932
local terms energy: -306.689602
where:
bonds (distance) C4'-P energy: -63.559
bonds (distance) P-C4' energy: -77.060
flat angles C4'-P-C4' energy: -63.700
flat angles P-C4'-P energy: -43.513
tors. eta vs tors. theta energy: -58.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -659.079831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.079831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.079831 (E_RNA)
where:
Base-Base interactions energy: -389.528
where: short stacking energy: -216.348
Base-Backbone interact. energy: -1.588
local terms energy: -267.964158
where:
bonds (distance) C4'-P energy: -55.462
bonds (distance) P-C4' energy: -70.813
flat angles C4'-P-C4' energy: -46.339
flat angles P-C4'-P energy: -51.818
tors. eta vs tors. theta energy: -43.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -690.852047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.852047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.852047 (E_RNA)
where:
Base-Base interactions energy: -447.915
where: short stacking energy: -216.089
Base-Backbone interact. energy: -2.520
local terms energy: -240.417160
where:
bonds (distance) C4'-P energy: -64.084
bonds (distance) P-C4' energy: -48.322
flat angles C4'-P-C4' energy: -57.087
flat angles P-C4'-P energy: -31.476
tors. eta vs tors. theta energy: -39.449
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: 1
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -571.968120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.968120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.968120 (E_RNA)
where:
Base-Base interactions energy: -330.723
where: short stacking energy: -175.994
Base-Backbone interact. energy: 4.934
local terms energy: -246.179229
where:
bonds (distance) C4'-P energy: -60.453
bonds (distance) P-C4' energy: -54.956
flat angles C4'-P-C4' energy: -58.582
flat angles P-C4'-P energy: -30.547
tors. eta vs tors. theta energy: -41.640
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: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -458.862200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.862200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.862200 (E_RNA)
where:
Base-Base interactions energy: -232.133
where: short stacking energy: -135.702
Base-Backbone interact. energy: 0.980
local terms energy: -227.709510
where:
bonds (distance) C4'-P energy: -54.977
bonds (distance) P-C4' energy: -55.964
flat angles C4'-P-C4' energy: -53.851
flat angles P-C4'-P energy: -38.359
tors. eta vs tors. theta energy: -24.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -322.106105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.106105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.106105 (E_RNA)
where:
Base-Base interactions energy: -122.931
where: short stacking energy: -86.136
Base-Backbone interact. energy: 0.636
local terms energy: -199.810771
where:
bonds (distance) C4'-P energy: -49.097
bonds (distance) P-C4' energy: -67.181
flat angles C4'-P-C4' energy: -51.687
flat angles P-C4'-P energy: -30.886
tors. eta vs tors. theta energy: -0.961
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: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -346.069447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.069447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.069447 (E_RNA)
where:
Base-Base interactions energy: -143.723
where: short stacking energy: -99.963
Base-Backbone interact. energy: -0.343
local terms energy: -202.004065
where:
bonds (distance) C4'-P energy: -58.734
bonds (distance) P-C4' energy: -63.323
flat angles C4'-P-C4' energy: -51.121
flat angles P-C4'-P energy: -20.584
tors. eta vs tors. theta energy: -8.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -279.712279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.712279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.712279 (E_RNA)
where:
Base-Base interactions energy: -113.928
where: short stacking energy: -76.926
Base-Backbone interact. energy: 3.921
local terms energy: -169.705554
where:
bonds (distance) C4'-P energy: -54.200
bonds (distance) P-C4' energy: -58.417
flat angles C4'-P-C4' energy: -44.073
flat angles P-C4'-P energy: -26.710
tors. eta vs tors. theta energy: 13.694
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: 1, replica: 3
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -905.336797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.336797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.336797 (E_RNA)
where:
Base-Base interactions energy: -573.337
where: short stacking energy: -278.046
Base-Backbone interact. energy: -2.769
local terms energy: -329.230198
where:
bonds (distance) C4'-P energy: -69.488
bonds (distance) P-C4' energy: -62.687
flat angles C4'-P-C4' energy: -73.050
flat angles P-C4'-P energy: -50.933
tors. eta vs tors. theta energy: -73.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -857.842157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.842157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.842157 (E_RNA)
where:
Base-Base interactions energy: -531.084
where: short stacking energy: -250.281
Base-Backbone interact. energy: -0.090
local terms energy: -326.669101
where:
bonds (distance) C4'-P energy: -64.108
bonds (distance) P-C4' energy: -60.462
flat angles C4'-P-C4' energy: -78.122
flat angles P-C4'-P energy: -54.119
tors. eta vs tors. theta energy: -69.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -768.784263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.784263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.784263 (E_RNA)
where:
Base-Base interactions energy: -462.857
where: short stacking energy: -236.700
Base-Backbone interact. energy: 2.755
local terms energy: -308.681768
where:
bonds (distance) C4'-P energy: -69.292
bonds (distance) P-C4' energy: -68.776
flat angles C4'-P-C4' energy: -67.234
flat angles P-C4'-P energy: -48.760
tors. eta vs tors. theta energy: -54.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -755.721243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.721243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.721243 (E_RNA)
where:
Base-Base interactions energy: -476.412
where: short stacking energy: -214.212
Base-Backbone interact. energy: 0.131
local terms energy: -279.440271
where:
bonds (distance) C4'-P energy: -53.833
bonds (distance) P-C4' energy: -62.888
flat angles C4'-P-C4' energy: -59.888
flat angles P-C4'-P energy: -46.928
tors. eta vs tors. theta energy: -55.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -603.768107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.768107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.768107 (E_RNA)
where:
Base-Base interactions energy: -343.058
where: short stacking energy: -179.254
Base-Backbone interact. energy: 0.447
local terms energy: -261.156662
where:
bonds (distance) C4'-P energy: -60.542
bonds (distance) P-C4' energy: -63.251
flat angles C4'-P-C4' energy: -60.226
flat angles P-C4'-P energy: -38.485
tors. eta vs tors. theta energy: -38.652
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: 1
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -577.877016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.877016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.877016 (E_RNA)
where:
Base-Base interactions energy: -336.382
where: short stacking energy: -166.921
Base-Backbone interact. energy: -1.147
local terms energy: -240.479199
where:
bonds (distance) C4'-P energy: -53.395
bonds (distance) P-C4' energy: -63.929
flat angles C4'-P-C4' energy: -53.164
flat angles P-C4'-P energy: -40.523
tors. eta vs tors. theta energy: -29.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.131 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -463.273582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.273582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.273582 (E_RNA)
where:
Base-Base interactions energy: -235.682
where: short stacking energy: -138.098
Base-Backbone interact. energy: -1.160
local terms energy: -226.432069
where:
bonds (distance) C4'-P energy: -53.362
bonds (distance) P-C4' energy: -65.160
flat angles C4'-P-C4' energy: -53.245
flat angles P-C4'-P energy: -29.286
tors. eta vs tors. theta energy: -25.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -305.145306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.145306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.145306 (E_RNA)
where:
Base-Base interactions energy: -121.537
where: short stacking energy: -104.221
Base-Backbone interact. energy: 0.388
local terms energy: -183.996436
where:
bonds (distance) C4'-P energy: -57.729
bonds (distance) P-C4' energy: -50.971
flat angles C4'-P-C4' energy: -42.416
flat angles P-C4'-P energy: -32.371
tors. eta vs tors. theta energy: -0.510
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: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -282.488706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.488706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.488706 (E_RNA)
where:
Base-Base interactions energy: -109.776
where: short stacking energy: -74.387
Base-Backbone interact. energy: -1.027
local terms energy: -171.685676
where:
bonds (distance) C4'-P energy: -55.157
bonds (distance) P-C4' energy: -55.517
flat angles C4'-P-C4' energy: -46.671
flat angles P-C4'-P energy: -22.430
tors. eta vs tors. theta energy: 8.090
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: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -268.704620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.704620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.704620 (E_RNA)
where:
Base-Base interactions energy: -92.370
where: short stacking energy: -84.529
Base-Backbone interact. energy: -1.263
local terms energy: -175.072084
where:
bonds (distance) C4'-P energy: -55.528
bonds (distance) P-C4' energy: -57.840
flat angles C4'-P-C4' energy: -40.885
flat angles P-C4'-P energy: -22.283
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: 1, replica: 3
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -922.646671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.646671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.646671 (E_RNA)
where:
Base-Base interactions energy: -595.337
where: short stacking energy: -284.806
Base-Backbone interact. energy: -2.360
local terms energy: -324.949701
where:
bonds (distance) C4'-P energy: -69.970
bonds (distance) P-C4' energy: -65.955
flat angles C4'-P-C4' energy: -74.445
flat angles P-C4'-P energy: -37.738
tors. eta vs tors. theta energy: -76.841
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: 8
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -864.468306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.468306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.468306 (E_RNA)
where:
Base-Base interactions energy: -550.683
where: short stacking energy: -273.457
Base-Backbone interact. energy: -1.943
local terms energy: -311.842512
where:
bonds (distance) C4'-P energy: -57.608
bonds (distance) P-C4' energy: -64.388
flat angles C4'-P-C4' energy: -66.521
flat angles P-C4'-P energy: -47.619
tors. eta vs tors. theta energy: -75.705
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: 3, replica: 7
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -799.379799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.379799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.379799 (E_RNA)
where:
Base-Base interactions energy: -515.408
where: short stacking energy: -222.532
Base-Backbone interact. energy: -1.387
local terms energy: -282.584501
where:
bonds (distance) C4'-P energy: -59.276
bonds (distance) P-C4' energy: -62.284
flat angles C4'-P-C4' energy: -51.753
flat angles P-C4'-P energy: -50.906
tors. eta vs tors. theta energy: -58.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -766.701379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.701379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.701379 (E_RNA)
where:
Base-Base interactions energy: -479.758
where: short stacking energy: -236.258
Base-Backbone interact. energy: 0.543
local terms energy: -287.485545
where:
bonds (distance) C4'-P energy: -58.132
bonds (distance) P-C4' energy: -63.046
flat angles C4'-P-C4' energy: -63.670
flat angles P-C4'-P energy: -49.243
tors. eta vs tors. theta energy: -53.394
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: 5, replica: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -594.266464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.266464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.266464 (E_RNA)
where:
Base-Base interactions energy: -347.900
where: short stacking energy: -187.309
Base-Backbone interact. energy: -0.107
local terms energy: -246.259813
where:
bonds (distance) C4'-P energy: -57.895
bonds (distance) P-C4' energy: -56.677
flat angles C4'-P-C4' energy: -59.777
flat angles P-C4'-P energy: -39.826
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: 6, replica: 1
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -562.462583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.462583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.462583 (E_RNA)
where:
Base-Base interactions energy: -319.146
where: short stacking energy: -167.392
Base-Backbone interact. energy: -0.514
local terms energy: -242.802681
where:
bonds (distance) C4'-P energy: -51.668
bonds (distance) P-C4' energy: -59.003
flat angles C4'-P-C4' energy: -59.531
flat angles P-C4'-P energy: -35.485
tors. eta vs tors. theta energy: -37.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -470.801664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.801664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.801664 (E_RNA)
where:
Base-Base interactions energy: -258.261
where: short stacking energy: -153.315
Base-Backbone interact. energy: -0.738
local terms energy: -211.803219
where:
bonds (distance) C4'-P energy: -49.737
bonds (distance) P-C4' energy: -62.447
flat angles C4'-P-C4' energy: -44.986
flat angles P-C4'-P energy: -27.879
tors. eta vs tors. theta energy: -26.754
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: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -311.117124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.117124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.117124 (E_RNA)
where:
Base-Base interactions energy: -113.724
where: short stacking energy: -97.913
Base-Backbone interact. energy: -0.504
local terms energy: -196.888857
where:
bonds (distance) C4'-P energy: -59.541
bonds (distance) P-C4' energy: -54.150
flat angles C4'-P-C4' energy: -54.817
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -9.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -311.856619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.856619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.856619 (E_RNA)
where:
Base-Base interactions energy: -153.115
where: short stacking energy: -103.230
Base-Backbone interact. energy: 0.700
local terms energy: -159.441638
where:
bonds (distance) C4'-P energy: -49.685
bonds (distance) P-C4' energy: -59.045
flat angles C4'-P-C4' energy: -33.417
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -7.815
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: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -282.070367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.070367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.070367 (E_RNA)
where:
Base-Base interactions energy: -114.910
where: short stacking energy: -102.340
Base-Backbone interact. energy: -0.807
local terms energy: -166.352833
where:
bonds (distance) C4'-P energy: -37.585
bonds (distance) P-C4' energy: -48.924
flat angles C4'-P-C4' energy: -40.818
flat angles P-C4'-P energy: -31.485
tors. eta vs tors. theta energy: -7.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -931.227593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.227593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.227593 (E_RNA)
where:
Base-Base interactions energy: -603.510
where: short stacking energy: -311.146
Base-Backbone interact. energy: -1.469
local terms energy: -326.248831
where:
bonds (distance) C4'-P energy: -62.003
bonds (distance) P-C4' energy: -70.904
flat angles C4'-P-C4' energy: -66.852
flat angles P-C4'-P energy: -43.880
tors. eta vs tors. theta energy: -82.611
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: 2, replica: 8
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -860.931330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.931330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.931330 (E_RNA)
where:
Base-Base interactions energy: -553.360
where: short stacking energy: -279.666
Base-Backbone interact. energy: 1.285
local terms energy: -308.856118
where:
bonds (distance) C4'-P energy: -71.432
bonds (distance) P-C4' energy: -62.142
flat angles C4'-P-C4' energy: -58.603
flat angles P-C4'-P energy: -41.372
tors. eta vs tors. theta energy: -75.307
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: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -778.418038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.418038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.418038 (E_RNA)
where:
Base-Base interactions energy: -466.286
where: short stacking energy: -231.116
Base-Backbone interact. energy: -1.977
local terms energy: -310.154731
where:
bonds (distance) C4'-P energy: -65.208
bonds (distance) P-C4' energy: -65.138
flat angles C4'-P-C4' energy: -69.998
flat angles P-C4'-P energy: -50.183
tors. eta vs tors. theta energy: -59.628
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: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -755.049033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.049033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.049033 (E_RNA)
where:
Base-Base interactions energy: -469.094
where: short stacking energy: -232.113
Base-Backbone interact. energy: -0.594
local terms energy: -285.360491
where:
bonds (distance) C4'-P energy: -57.081
bonds (distance) P-C4' energy: -57.817
flat angles C4'-P-C4' energy: -69.103
flat angles P-C4'-P energy: -39.450
tors. eta vs tors. theta energy: -61.909
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: 5, replica: 4
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -595.412025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.412025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.412025 (E_RNA)
where:
Base-Base interactions energy: -342.426
where: short stacking energy: -185.860
Base-Backbone interact. energy: -1.280
local terms energy: -251.705540
where:
bonds (distance) C4'-P energy: -59.823
bonds (distance) P-C4' energy: -65.713
flat angles C4'-P-C4' energy: -53.279
flat angles P-C4'-P energy: -42.616
tors. eta vs tors. theta energy: -30.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -543.270623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.270623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.270623 (E_RNA)
where:
Base-Base interactions energy: -310.728
where: short stacking energy: -153.548
Base-Backbone interact. energy: 1.376
local terms energy: -233.919039
where:
bonds (distance) C4'-P energy: -60.940
bonds (distance) P-C4' energy: -58.407
flat angles C4'-P-C4' energy: -54.062
flat angles P-C4'-P energy: -41.125
tors. eta vs tors. theta energy: -19.385
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: 7, replica: 5
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -479.564671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.564671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.564671 (E_RNA)
where:
Base-Base interactions energy: -262.543
where: short stacking energy: -163.662
Base-Backbone interact. energy: -0.095
local terms energy: -216.927384
where:
bonds (distance) C4'-P energy: -44.259
bonds (distance) P-C4' energy: -56.332
flat angles C4'-P-C4' energy: -58.084
flat angles P-C4'-P energy: -30.620
tors. eta vs tors. theta energy: -27.631
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: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -348.085445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.085445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.085445 (E_RNA)
where:
Base-Base interactions energy: -147.957
where: short stacking energy: -111.692
Base-Backbone interact. energy: 0.865
local terms energy: -200.992828
where:
bonds (distance) C4'-P energy: -52.151
bonds (distance) P-C4' energy: -69.017
flat angles C4'-P-C4' energy: -36.106
flat angles P-C4'-P energy: -30.109
tors. eta vs tors. theta energy: -13.609
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: 10
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -300.823423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.823423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.823423 (E_RNA)
where:
Base-Base interactions energy: -139.651
where: short stacking energy: -107.258
Base-Backbone interact. energy: 0.686
local terms energy: -161.858390
where:
bonds (distance) C4'-P energy: -43.849
bonds (distance) P-C4' energy: -59.273
flat angles C4'-P-C4' energy: -35.841
flat angles P-C4'-P energy: -28.148
tors. eta vs tors. theta energy: 5.252
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: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -268.454215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.454215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.454215 (E_RNA)
where:
Base-Base interactions energy: -92.642
where: short stacking energy: -65.818
Base-Backbone interact. energy: -0.627
local terms energy: -175.185054
where:
bonds (distance) C4'-P energy: -43.876
bonds (distance) P-C4' energy: -60.653
flat angles C4'-P-C4' energy: -47.007
flat angles P-C4'-P energy: -36.539
tors. eta vs tors. theta energy: 12.890
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: 1, replica: 3
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -916.467871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.467871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.467871 (E_RNA)
where:
Base-Base interactions energy: -582.384
where: short stacking energy: -283.468
Base-Backbone interact. energy: -4.678
local terms energy: -329.405233
where:
bonds (distance) C4'-P energy: -63.322
bonds (distance) P-C4' energy: -73.554
flat angles C4'-P-C4' energy: -74.935
flat angles P-C4'-P energy: -43.861
tors. eta vs tors. theta energy: -73.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -905.639358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.639358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.639358 (E_RNA)
where:
Base-Base interactions energy: -572.313
where: short stacking energy: -280.856
Base-Backbone interact. energy: 1.319
local terms energy: -334.645121
where:
bonds (distance) C4'-P energy: -57.548
bonds (distance) P-C4' energy: -73.908
flat angles C4'-P-C4' energy: -69.268
flat angles P-C4'-P energy: -46.838
tors. eta vs tors. theta energy: -87.083
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: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -752.830814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.830814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.830814 (E_RNA)
where:
Base-Base interactions energy: -458.526
where: short stacking energy: -221.832
Base-Backbone interact. energy: -1.027
local terms energy: -293.277283
where:
bonds (distance) C4'-P energy: -58.553
bonds (distance) P-C4' energy: -61.988
flat angles C4'-P-C4' energy: -63.925
flat angles P-C4'-P energy: -49.718
tors. eta vs tors. theta energy: -59.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -825.588942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.588942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.588942 (E_RNA)
where:
Base-Base interactions energy: -520.764
where: short stacking energy: -247.549
Base-Backbone interact. energy: -2.086
local terms energy: -302.738794
where:
bonds (distance) C4'-P energy: -54.939
bonds (distance) P-C4' energy: -62.134
flat angles C4'-P-C4' energy: -71.195
flat angles P-C4'-P energy: -46.871
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: 5, replica: 4
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -629.031527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.031527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.031527 (E_RNA)
where:
Base-Base interactions energy: -383.114
where: short stacking energy: -203.941
Base-Backbone interact. energy: -0.844
local terms energy: -245.073567
where:
bonds (distance) C4'-P energy: -56.112
bonds (distance) P-C4' energy: -63.890
flat angles C4'-P-C4' energy: -55.359
flat angles P-C4'-P energy: -32.204
tors. eta vs tors. theta energy: -37.508
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: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -638.040622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.040622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.040622 (E_RNA)
where:
Base-Base interactions energy: -379.324
where: short stacking energy: -180.802
Base-Backbone interact. energy: -0.864
local terms energy: -257.852027
where:
bonds (distance) C4'-P energy: -53.696
bonds (distance) P-C4' energy: -65.929
flat angles C4'-P-C4' energy: -60.316
flat angles P-C4'-P energy: -38.251
tors. eta vs tors. theta energy: -39.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -364.050037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.050037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.050037 (E_RNA)
where:
Base-Base interactions energy: -168.076
where: short stacking energy: -106.504
Base-Backbone interact. energy: -1.728
local terms energy: -194.246598
where:
bonds (distance) C4'-P energy: -52.081
bonds (distance) P-C4' energy: -67.636
flat angles C4'-P-C4' energy: -42.642
flat angles P-C4'-P energy: -24.073
tors. eta vs tors. theta energy: -7.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -420.401320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.401320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.401320 (E_RNA)
where:
Base-Base interactions energy: -220.614
where: short stacking energy: -141.456
Base-Backbone interact. energy: -1.322
local terms energy: -198.465661
where:
bonds (distance) C4'-P energy: -54.453
bonds (distance) P-C4' energy: -59.176
flat angles C4'-P-C4' energy: -55.428
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: -9.481
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: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -380.129558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.129558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.129558 (E_RNA)
where:
Base-Base interactions energy: -200.257
where: short stacking energy: -115.399
Base-Backbone interact. energy: -1.946
local terms energy: -177.926610
where:
bonds (distance) C4'-P energy: -38.925
bonds (distance) P-C4' energy: -62.087
flat angles C4'-P-C4' energy: -50.443
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -7.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -301.609014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.609014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.609014 (E_RNA)
where:
Base-Base interactions energy: -123.961
where: short stacking energy: -95.917
Base-Backbone interact. energy: -0.399
local terms energy: -177.249490
where:
bonds (distance) C4'-P energy: -42.273
bonds (distance) P-C4' energy: -51.112
flat angles C4'-P-C4' energy: -50.792
flat angles P-C4'-P energy: -38.583
tors. eta vs tors. theta energy: 5.510
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: 3
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -883.922143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.922143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.922143 (E_RNA)
where:
Base-Base interactions energy: -548.985
where: short stacking energy: -277.551
Base-Backbone interact. energy: -1.820
local terms energy: -333.117171
where:
bonds (distance) C4'-P energy: -65.129
bonds (distance) P-C4' energy: -68.158
flat angles C4'-P-C4' energy: -63.979
flat angles P-C4'-P energy: -51.551
tors. eta vs tors. theta energy: -84.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -883.712365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.712365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.712365 (E_RNA)
where:
Base-Base interactions energy: -552.892
where: short stacking energy: -280.367
Base-Backbone interact. energy: -1.345
local terms energy: -329.475785
where:
bonds (distance) C4'-P energy: -53.440
bonds (distance) P-C4' energy: -74.205
flat angles C4'-P-C4' energy: -68.545
flat angles P-C4'-P energy: -50.317
tors. eta vs tors. theta energy: -82.969
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: 3, replica: 7
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -760.192991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.192991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.192991 (E_RNA)
where:
Base-Base interactions energy: -481.230
where: short stacking energy: -222.300
Base-Backbone interact. energy: -0.382
local terms energy: -278.635450
where:
bonds (distance) C4'-P energy: -57.327
bonds (distance) P-C4' energy: -67.924
flat angles C4'-P-C4' energy: -58.418
flat angles P-C4'-P energy: -43.016
tors. eta vs tors. theta energy: -51.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.055 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -755.546992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.546992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.546992 (E_RNA)
where:
Base-Base interactions energy: -481.838
where: short stacking energy: -234.015
Base-Backbone interact. energy: -1.427
local terms energy: -272.281438
where:
bonds (distance) C4'-P energy: -54.009
bonds (distance) P-C4' energy: -59.055
flat angles C4'-P-C4' energy: -62.358
flat angles P-C4'-P energy: -32.067
tors. eta vs tors. theta energy: -64.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -641.798783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.798783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.798783 (E_RNA)
where:
Base-Base interactions energy: -391.534
where: short stacking energy: -175.511
Base-Backbone interact. energy: -0.660
local terms energy: -249.604080
where:
bonds (distance) C4'-P energy: -61.201
bonds (distance) P-C4' energy: -66.375
flat angles C4'-P-C4' energy: -54.316
flat angles P-C4'-P energy: -39.800
tors. eta vs tors. theta energy: -27.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -678.709246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.709246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.709246 (E_RNA)
where:
Base-Base interactions energy: -421.500
where: short stacking energy: -198.356
Base-Backbone interact. energy: -1.127
local terms energy: -256.081840
where:
bonds (distance) C4'-P energy: -62.475
bonds (distance) P-C4' energy: -53.185
flat angles C4'-P-C4' energy: -57.068
flat angles P-C4'-P energy: -39.942
tors. eta vs tors. theta energy: -43.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -379.935550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.935550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.935550 (E_RNA)
where:
Base-Base interactions energy: -176.989
where: short stacking energy: -119.921
Base-Backbone interact. energy: 2.124
local terms energy: -205.071025
where:
bonds (distance) C4'-P energy: -50.873
bonds (distance) P-C4' energy: -37.236
flat angles C4'-P-C4' energy: -59.054
flat angles P-C4'-P energy: -45.280
tors. eta vs tors. theta energy: -12.628
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: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -394.498715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.498715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.498715 (E_RNA)
where:
Base-Base interactions energy: -191.915
where: short stacking energy: -118.529
Base-Backbone interact. energy: 0.261
local terms energy: -202.844851
where:
bonds (distance) C4'-P energy: -54.618
bonds (distance) P-C4' energy: -62.677
flat angles C4'-P-C4' energy: -52.708
flat angles P-C4'-P energy: -24.419
tors. eta vs tors. theta energy: -8.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -381.796539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.796539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.796539 (E_RNA)
where:
Base-Base interactions energy: -188.862
where: short stacking energy: -110.166
Base-Backbone interact. energy: 6.383
local terms energy: -199.317888
where:
bonds (distance) C4'-P energy: -47.548
bonds (distance) P-C4' energy: -61.117
flat angles C4'-P-C4' energy: -43.786
flat angles P-C4'-P energy: -41.629
tors. eta vs tors. theta energy: -5.238
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: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -278.572600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.572600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.572600 (E_RNA)
where:
Base-Base interactions energy: -97.768
where: short stacking energy: -86.338
Base-Backbone interact. energy: 4.781
local terms energy: -185.585985
where:
bonds (distance) C4'-P energy: -58.681
bonds (distance) P-C4' energy: -56.942
flat angles C4'-P-C4' energy: -46.430
flat angles P-C4'-P energy: -20.376
tors. eta vs tors. theta energy: -3.158
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: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -897.908767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.908767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.908767 (E_RNA)
where:
Base-Base interactions energy: -571.848
where: short stacking energy: -292.105
Base-Backbone interact. energy: -2.138
local terms energy: -323.922507
where:
bonds (distance) C4'-P energy: -62.237
bonds (distance) P-C4' energy: -65.031
flat angles C4'-P-C4' energy: -65.838
flat angles P-C4'-P energy: -49.406
tors. eta vs tors. theta energy: -81.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -860.060180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.060180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.060180 (E_RNA)
where:
Base-Base interactions energy: -552.486
where: short stacking energy: -235.280
Base-Backbone interact. energy: -2.575
local terms energy: -304.999582
where:
bonds (distance) C4'-P energy: -62.486
bonds (distance) P-C4' energy: -68.602
flat angles C4'-P-C4' energy: -69.869
flat angles P-C4'-P energy: -38.946
tors. eta vs tors. theta energy: -65.096
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: 7
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -819.893758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.893758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.893758 (E_RNA)
where:
Base-Base interactions energy: -532.975
where: short stacking energy: -245.074
Base-Backbone interact. energy: 1.894
local terms energy: -288.812859
where:
bonds (distance) C4'-P energy: -68.208
bonds (distance) P-C4' energy: -64.008
flat angles C4'-P-C4' energy: -67.231
flat angles P-C4'-P energy: -34.410
tors. eta vs tors. theta energy: -54.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -748.039106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.039106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.039106 (E_RNA)
where:
Base-Base interactions energy: -463.620
where: short stacking energy: -220.533
Base-Backbone interact. energy: 0.680
local terms energy: -285.099325
where:
bonds (distance) C4'-P energy: -71.117
bonds (distance) P-C4' energy: -55.959
flat angles C4'-P-C4' energy: -62.582
flat angles P-C4'-P energy: -36.613
tors. eta vs tors. theta energy: -58.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -693.581017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.581017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.581017 (E_RNA)
where:
Base-Base interactions energy: -450.431
where: short stacking energy: -225.241
Base-Backbone interact. energy: 1.400
local terms energy: -244.549186
where:
bonds (distance) C4'-P energy: -44.731
bonds (distance) P-C4' energy: -65.711
flat angles C4'-P-C4' energy: -44.901
flat angles P-C4'-P energy: -37.549
tors. eta vs tors. theta energy: -51.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -600.888205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.888205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.888205 (E_RNA)
where:
Base-Base interactions energy: -360.502
where: short stacking energy: -199.949
Base-Backbone interact. energy: -0.510
local terms energy: -239.876206
where:
bonds (distance) C4'-P energy: -66.273
bonds (distance) P-C4' energy: -60.575
flat angles C4'-P-C4' energy: -41.877
flat angles P-C4'-P energy: -30.841
tors. eta vs tors. theta energy: -40.311
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: 6
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -460.625143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.625143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.625143 (E_RNA)
where:
Base-Base interactions energy: -249.365
where: short stacking energy: -149.699
Base-Backbone interact. energy: 1.874
local terms energy: -213.134680
where:
bonds (distance) C4'-P energy: -55.586
bonds (distance) P-C4' energy: -55.654
flat angles C4'-P-C4' energy: -52.050
flat angles P-C4'-P energy: -27.676
tors. eta vs tors. theta energy: -22.169
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: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -350.539555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.539555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.539555 (E_RNA)
where:
Base-Base interactions energy: -153.310
where: short stacking energy: -97.951
Base-Backbone interact. energy: -1.017
local terms energy: -196.212719
where:
bonds (distance) C4'-P energy: -63.112
bonds (distance) P-C4' energy: -57.518
flat angles C4'-P-C4' energy: -47.973
flat angles P-C4'-P energy: -23.705
tors. eta vs tors. theta energy: -3.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -368.925496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.925496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.925496 (E_RNA)
where:
Base-Base interactions energy: -172.887
where: short stacking energy: -110.391
Base-Backbone interact. energy: -3.703
local terms energy: -192.334832
where:
bonds (distance) C4'-P energy: -51.379
bonds (distance) P-C4' energy: -62.506
flat angles C4'-P-C4' energy: -54.341
flat angles P-C4'-P energy: -28.036
tors. eta vs tors. theta energy: 3.927
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: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -258.604821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.604821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.604821 (E_RNA)
where:
Base-Base interactions energy: -91.246
where: short stacking energy: -80.646
Base-Backbone interact. energy: 3.302
local terms energy: -170.661539
where:
bonds (distance) C4'-P energy: -39.914
bonds (distance) P-C4' energy: -60.005
flat angles C4'-P-C4' energy: -54.128
flat angles P-C4'-P energy: -34.267
tors. eta vs tors. theta energy: 17.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -889.668187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.668187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.668187 (E_RNA)
where:
Base-Base interactions energy: -581.358
where: short stacking energy: -289.329
Base-Backbone interact. energy: -1.205
local terms energy: -307.104596
where:
bonds (distance) C4'-P energy: -57.903
bonds (distance) P-C4' energy: -58.393
flat angles C4'-P-C4' energy: -77.124
flat angles P-C4'-P energy: -43.514
tors. eta vs tors. theta energy: -70.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -867.365503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.365503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.365503 (E_RNA)
where:
Base-Base interactions energy: -549.870
where: short stacking energy: -262.190
Base-Backbone interact. energy: -1.339
local terms energy: -316.156998
where:
bonds (distance) C4'-P energy: -64.206
bonds (distance) P-C4' energy: -65.473
flat angles C4'-P-C4' energy: -69.249
flat angles P-C4'-P energy: -42.297
tors. eta vs tors. theta energy: -74.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -787.544584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.544584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.544584 (E_RNA)
where:
Base-Base interactions energy: -515.120
where: short stacking energy: -207.939
Base-Backbone interact. energy: 0.190
local terms energy: -272.895482
where:
bonds (distance) C4'-P energy: -64.054
bonds (distance) P-C4' energy: -58.971
flat angles C4'-P-C4' energy: -61.676
flat angles P-C4'-P energy: -42.867
tors. eta vs tors. theta energy: -45.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.282 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -746.511011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.511011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.511011 (E_RNA)
where:
Base-Base interactions energy: -472.436
where: short stacking energy: -229.875
Base-Backbone interact. energy: -1.263
local terms energy: -272.811905
where:
bonds (distance) C4'-P energy: -50.951
bonds (distance) P-C4' energy: -51.594
flat angles C4'-P-C4' energy: -68.643
flat angles P-C4'-P energy: -50.731
tors. eta vs tors. theta energy: -50.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -718.720406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.720406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.720406 (E_RNA)
where:
Base-Base interactions energy: -451.873
where: short stacking energy: -212.472
Base-Backbone interact. energy: 0.219
local terms energy: -267.066065
where:
bonds (distance) C4'-P energy: -59.766
bonds (distance) P-C4' energy: -59.176
flat angles C4'-P-C4' energy: -52.985
flat angles P-C4'-P energy: -43.138
tors. eta vs tors. theta energy: -52.001
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: 6, replica: 4
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -596.134492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.134492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.134492 (E_RNA)
where:
Base-Base interactions energy: -369.708
where: short stacking energy: -164.217
Base-Backbone interact. energy: 4.946
local terms energy: -231.372337
where:
bonds (distance) C4'-P energy: -46.311
bonds (distance) P-C4' energy: -63.804
flat angles C4'-P-C4' energy: -63.506
flat angles P-C4'-P energy: -38.191
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -546.852756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.852756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.852756 (E_RNA)
where:
Base-Base interactions energy: -305.268
where: short stacking energy: -181.751
Base-Backbone interact. energy: -1.488
local terms energy: -240.097152
where:
bonds (distance) C4'-P energy: -60.437
bonds (distance) P-C4' energy: -52.744
flat angles C4'-P-C4' energy: -54.182
flat angles P-C4'-P energy: -42.958
tors. eta vs tors. theta energy: -29.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -430.116740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.116740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.116740 (E_RNA)
where:
Base-Base interactions energy: -216.846
where: short stacking energy: -114.407
Base-Backbone interact. energy: -0.707
local terms energy: -212.563903
where:
bonds (distance) C4'-P energy: -49.602
bonds (distance) P-C4' energy: -56.063
flat angles C4'-P-C4' energy: -55.721
flat angles P-C4'-P energy: -41.527
tors. eta vs tors. theta energy: -9.650
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: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -341.446935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.446935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.446935 (E_RNA)
where:
Base-Base interactions energy: -152.172
where: short stacking energy: -108.883
Base-Backbone interact. energy: -0.776
local terms energy: -188.499125
where:
bonds (distance) C4'-P energy: -57.034
bonds (distance) P-C4' energy: -51.091
flat angles C4'-P-C4' energy: -47.215
flat angles P-C4'-P energy: -25.009
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -270.366977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.366977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.366977 (E_RNA)
where:
Base-Base interactions energy: -97.553
where: short stacking energy: -78.047
Base-Backbone interact. energy: 5.086
local terms energy: -177.899821
where:
bonds (distance) C4'-P energy: -43.173
bonds (distance) P-C4' energy: -65.412
flat angles C4'-P-C4' energy: -51.391
flat angles P-C4'-P energy: -29.027
tors. eta vs tors. theta energy: 11.103
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: 8
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -919.660689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.660689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.660689 (E_RNA)
where:
Base-Base interactions energy: -602.270
where: short stacking energy: -276.954
Base-Backbone interact. energy: -1.814
local terms energy: -315.576921
where:
bonds (distance) C4'-P energy: -62.683
bonds (distance) P-C4' energy: -65.753
flat angles C4'-P-C4' energy: -70.468
flat angles P-C4'-P energy: -43.157
tors. eta vs tors. theta energy: -73.517
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: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -853.558743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.558743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.558743 (E_RNA)
where:
Base-Base interactions energy: -539.832
where: short stacking energy: -270.342
Base-Backbone interact. energy: -0.653
local terms energy: -313.073311
where:
bonds (distance) C4'-P energy: -66.460
bonds (distance) P-C4' energy: -64.171
flat angles C4'-P-C4' energy: -67.507
flat angles P-C4'-P energy: -42.977
tors. eta vs tors. theta energy: -71.959
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: 3, replica: 7
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -783.419017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.419017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.419017 (E_RNA)
where:
Base-Base interactions energy: -473.423
where: short stacking energy: -237.377
Base-Backbone interact. energy: -3.620
local terms energy: -306.877371
where:
bonds (distance) C4'-P energy: -67.731
bonds (distance) P-C4' energy: -66.111
flat angles C4'-P-C4' energy: -64.364
flat angles P-C4'-P energy: -40.002
tors. eta vs tors. theta energy: -68.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.501 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -786.618425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.618425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.618425 (E_RNA)
where:
Base-Base interactions energy: -487.760
where: short stacking energy: -247.826
Base-Backbone interact. energy: -1.250
local terms energy: -297.608280
where:
bonds (distance) C4'-P energy: -62.292
bonds (distance) P-C4' energy: -67.690
flat angles C4'-P-C4' energy: -59.707
flat angles P-C4'-P energy: -45.117
tors. eta vs tors. theta energy: -62.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -744.185465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.185465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.185465 (E_RNA)
where:
Base-Base interactions energy: -484.954
where: short stacking energy: -231.042
Base-Backbone interact. energy: -2.530
local terms energy: -256.701410
where:
bonds (distance) C4'-P energy: -51.727
bonds (distance) P-C4' energy: -66.688
flat angles C4'-P-C4' energy: -53.528
flat angles P-C4'-P energy: -30.408
tors. eta vs tors. theta energy: -54.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -653.846102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.846102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.846102 (E_RNA)
where:
Base-Base interactions energy: -406.343
where: short stacking energy: -200.144
Base-Backbone interact. energy: -0.263
local terms energy: -247.239394
where:
bonds (distance) C4'-P energy: -60.619
bonds (distance) P-C4' energy: -59.556
flat angles C4'-P-C4' energy: -63.848
flat angles P-C4'-P energy: -26.617
tors. eta vs tors. theta energy: -36.600
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: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -511.043686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.043686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.043686 (E_RNA)
where:
Base-Base interactions energy: -298.685
where: short stacking energy: -153.767
Base-Backbone interact. energy: -0.370
local terms energy: -211.989448
where:
bonds (distance) C4'-P energy: -53.833
bonds (distance) P-C4' energy: -52.939
flat angles C4'-P-C4' energy: -47.424
flat angles P-C4'-P energy: -25.239
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: 8, replica: 5
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -392.061269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.061269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.061269 (E_RNA)
where:
Base-Base interactions energy: -187.751
where: short stacking energy: -107.257
Base-Backbone interact. energy: -0.502
local terms energy: -203.808822
where:
bonds (distance) C4'-P energy: -57.199
bonds (distance) P-C4' energy: -60.314
flat angles C4'-P-C4' energy: -48.405
flat angles P-C4'-P energy: -37.558
tors. eta vs tors. theta energy: -0.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -307.956478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.956478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.956478 (E_RNA)
where:
Base-Base interactions energy: -131.226
where: short stacking energy: -90.685
Base-Backbone interact. energy: -0.741
local terms energy: -175.989099
where:
bonds (distance) C4'-P energy: -56.371
bonds (distance) P-C4' energy: -54.504
flat angles C4'-P-C4' energy: -37.393
flat angles P-C4'-P energy: -26.357
tors. eta vs tors. theta energy: -1.364
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: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -259.845527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.845527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.845527 (E_RNA)
where:
Base-Base interactions energy: -107.196
where: short stacking energy: -85.315
Base-Backbone interact. energy: -1.960
local terms energy: -150.689089
where:
bonds (distance) C4'-P energy: -44.551
bonds (distance) P-C4' energy: -46.417
flat angles C4'-P-C4' energy: -41.675
flat angles P-C4'-P energy: -25.662
tors. eta vs tors. theta energy: 7.616
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: 8
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -917.641738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.641738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.641738 (E_RNA)
where:
Base-Base interactions energy: -612.958
where: short stacking energy: -262.440
Base-Backbone interact. energy: -1.766
local terms energy: -302.918272
where:
bonds (distance) C4'-P energy: -62.337
bonds (distance) P-C4' energy: -63.196
flat angles C4'-P-C4' energy: -62.277
flat angles P-C4'-P energy: -44.552
tors. eta vs tors. theta energy: -70.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -861.322423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.322423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.322423 (E_RNA)
where:
Base-Base interactions energy: -545.254
where: short stacking energy: -269.779
Base-Backbone interact. energy: -3.274
local terms energy: -312.794979
where:
bonds (distance) C4'-P energy: -66.767
bonds (distance) P-C4' energy: -63.688
flat angles C4'-P-C4' energy: -71.456
flat angles P-C4'-P energy: -35.247
tors. eta vs tors. theta energy: -75.638
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: 3, replica: 7
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -811.848197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.848197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.848197 (E_RNA)
where:
Base-Base interactions energy: -505.172
where: short stacking energy: -216.168
Base-Backbone interact. energy: -3.508
local terms energy: -303.167265
where:
bonds (distance) C4'-P energy: -59.562
bonds (distance) P-C4' energy: -71.038
flat angles C4'-P-C4' energy: -66.992
flat angles P-C4'-P energy: -51.200
tors. eta vs tors. theta energy: -54.375
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: 4, replica: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -777.289260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.289260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.289260 (E_RNA)
where:
Base-Base interactions energy: -497.727
where: short stacking energy: -230.697
Base-Backbone interact. energy: 1.118
local terms energy: -280.680968
where:
bonds (distance) C4'-P energy: -56.099
bonds (distance) P-C4' energy: -64.784
flat angles C4'-P-C4' energy: -62.485
flat angles P-C4'-P energy: -43.243
tors. eta vs tors. theta energy: -54.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -757.190408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.190408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.190408 (E_RNA)
where:
Base-Base interactions energy: -489.038
where: short stacking energy: -245.451
Base-Backbone interact. energy: -1.156
local terms energy: -266.996529
where:
bonds (distance) C4'-P energy: -57.024
bonds (distance) P-C4' energy: -44.974
flat angles C4'-P-C4' energy: -58.836
flat angles P-C4'-P energy: -47.395
tors. eta vs tors. theta energy: -58.768
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: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -656.757764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.757764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.757764 (E_RNA)
where:
Base-Base interactions energy: -413.840
where: short stacking energy: -192.810
Base-Backbone interact. energy: -1.753
local terms energy: -241.165257
where:
bonds (distance) C4'-P energy: -53.994
bonds (distance) P-C4' energy: -68.363
flat angles C4'-P-C4' energy: -58.374
flat angles P-C4'-P energy: -23.303
tors. eta vs tors. theta energy: -37.131
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: 6
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -511.068376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.068376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.068376 (E_RNA)
where:
Base-Base interactions energy: -284.316
where: short stacking energy: -160.225
Base-Backbone interact. energy: -0.039
local terms energy: -226.714188
where:
bonds (distance) C4'-P energy: -53.347
bonds (distance) P-C4' energy: -56.967
flat angles C4'-P-C4' energy: -58.850
flat angles P-C4'-P energy: -34.370
tors. eta vs tors. theta energy: -23.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -391.643298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.643298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.643298 (E_RNA)
where:
Base-Base interactions energy: -161.997
where: short stacking energy: -103.113
Base-Backbone interact. energy: -0.950
local terms energy: -228.696130
where:
bonds (distance) C4'-P energy: -60.918
bonds (distance) P-C4' energy: -64.085
flat angles C4'-P-C4' energy: -46.296
flat angles P-C4'-P energy: -42.902
tors. eta vs tors. theta energy: -14.495
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: 9, replica: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -323.431556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.431556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.431556 (E_RNA)
where:
Base-Base interactions energy: -141.860
where: short stacking energy: -89.731
Base-Backbone interact. energy: 0.834
local terms energy: -182.406089
where:
bonds (distance) C4'-P energy: -54.412
bonds (distance) P-C4' energy: -58.200
flat angles C4'-P-C4' energy: -45.215
flat angles P-C4'-P energy: -29.745
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: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -289.512362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.512362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.512362 (E_RNA)
where:
Base-Base interactions energy: -119.686
where: short stacking energy: -114.220
Base-Backbone interact. energy: -0.543
local terms energy: -169.283544
where:
bonds (distance) C4'-P energy: -55.126
bonds (distance) P-C4' energy: -40.925
flat angles C4'-P-C4' energy: -52.716
flat angles P-C4'-P energy: -19.727
tors. eta vs tors. theta energy: -0.790
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: 8
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -926.885432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.885432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.885432 (E_RNA)
where:
Base-Base interactions energy: -610.369
where: short stacking energy: -270.887
Base-Backbone interact. energy: -0.830
local terms energy: -315.686458
where:
bonds (distance) C4'-P energy: -64.738
bonds (distance) P-C4' energy: -65.493
flat angles C4'-P-C4' energy: -72.025
flat angles P-C4'-P energy: -40.695
tors. eta vs tors. theta energy: -72.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -812.346456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.346456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.346456 (E_RNA)
where:
Base-Base interactions energy: -506.240
where: short stacking energy: -252.323
Base-Backbone interact. energy: 2.333
local terms energy: -308.439177
where:
bonds (distance) C4'-P energy: -62.094
bonds (distance) P-C4' energy: -67.156
flat angles C4'-P-C4' energy: -70.960
flat angles P-C4'-P energy: -42.789
tors. eta vs tors. theta energy: -65.440
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: 7
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -823.907417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.907417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.907417 (E_RNA)
where:
Base-Base interactions energy: -522.685
where: short stacking energy: -260.885
Base-Backbone interact. energy: -2.521
local terms energy: -298.701592
where:
bonds (distance) C4'-P energy: -56.312
bonds (distance) P-C4' energy: -61.727
flat angles C4'-P-C4' energy: -66.618
flat angles P-C4'-P energy: -46.007
tors. eta vs tors. theta energy: -68.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -815.297668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.297668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.297668 (E_RNA)
where:
Base-Base interactions energy: -512.826
where: short stacking energy: -243.314
Base-Backbone interact. energy: -1.638
local terms energy: -300.834001
where:
bonds (distance) C4'-P energy: -60.131
bonds (distance) P-C4' energy: -65.542
flat angles C4'-P-C4' energy: -76.107
flat angles P-C4'-P energy: -39.010
tors. eta vs tors. theta energy: -60.045
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: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -700.613939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.613939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.613939 (E_RNA)
where:
Base-Base interactions energy: -417.396
where: short stacking energy: -207.220
Base-Backbone interact. energy: 1.252
local terms energy: -284.470361
where:
bonds (distance) C4'-P energy: -61.198
bonds (distance) P-C4' energy: -61.867
flat angles C4'-P-C4' energy: -60.926
flat angles P-C4'-P energy: -44.662
tors. eta vs tors. theta energy: -55.818
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: 6, replica: 4
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -632.128187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.128187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.128187 (E_RNA)
where:
Base-Base interactions energy: -395.607
where: short stacking energy: -200.538
Base-Backbone interact. energy: 1.823
local terms energy: -238.344173
where:
bonds (distance) C4'-P energy: -46.637
bonds (distance) P-C4' energy: -62.429
flat angles C4'-P-C4' energy: -62.237
flat angles P-C4'-P energy: -29.797
tors. eta vs tors. theta energy: -37.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -536.220467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.220467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.220467 (E_RNA)
where:
Base-Base interactions energy: -302.174
where: short stacking energy: -173.885
Base-Backbone interact. energy: -1.603
local terms energy: -232.443213
where:
bonds (distance) C4'-P energy: -56.060
bonds (distance) P-C4' energy: -66.242
flat angles C4'-P-C4' energy: -50.216
flat angles P-C4'-P energy: -31.813
tors. eta vs tors. theta energy: -28.112
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: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -365.361114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.361114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.361114 (E_RNA)
where:
Base-Base interactions energy: -157.055
where: short stacking energy: -113.974
Base-Backbone interact. energy: 3.216
local terms energy: -211.522307
where:
bonds (distance) C4'-P energy: -47.810
bonds (distance) P-C4' energy: -66.855
flat angles C4'-P-C4' energy: -45.517
flat angles P-C4'-P energy: -40.106
tors. eta vs tors. theta energy: -11.235
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: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -318.259994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.259994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.259994 (E_RNA)
where:
Base-Base interactions energy: -132.227
where: short stacking energy: -104.928
Base-Backbone interact. energy: 1.083
local terms energy: -187.192132
where:
bonds (distance) C4'-P energy: -55.033
bonds (distance) P-C4' energy: -50.062
flat angles C4'-P-C4' energy: -48.360
flat angles P-C4'-P energy: -37.239
tors. eta vs tors. theta energy: 3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.077 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -258.481710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.481710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.481710 (E_RNA)
where:
Base-Base interactions energy: -78.427
where: short stacking energy: -70.826
Base-Backbone interact. energy: -1.207
local terms energy: -178.847252
where:
bonds (distance) C4'-P energy: -50.380
bonds (distance) P-C4' energy: -54.022
flat angles C4'-P-C4' energy: -59.218
flat angles P-C4'-P energy: -20.662
tors. eta vs tors. theta energy: 5.434
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: 8
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -912.966895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.966895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.966895 (E_RNA)
where:
Base-Base interactions energy: -587.155
where: short stacking energy: -265.064
Base-Backbone interact. energy: 0.352
local terms energy: -326.163558
where:
bonds (distance) C4'-P energy: -70.636
bonds (distance) P-C4' energy: -74.342
flat angles C4'-P-C4' energy: -71.148
flat angles P-C4'-P energy: -50.775
tors. eta vs tors. theta energy: -59.264
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: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -842.049465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.049465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.049465 (E_RNA)
where:
Base-Base interactions energy: -525.373
where: short stacking energy: -279.114
Base-Backbone interact. energy: 0.118
local terms energy: -316.794238
where:
bonds (distance) C4'-P energy: -48.485
bonds (distance) P-C4' energy: -74.141
flat angles C4'-P-C4' energy: -72.261
flat angles P-C4'-P energy: -51.881
tors. eta vs tors. theta energy: -70.026
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: 3, replica: 7
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -807.119274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.119274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.119274 (E_RNA)
where:
Base-Base interactions energy: -515.086
where: short stacking energy: -254.783
Base-Backbone interact. energy: -1.690
local terms energy: -290.343943
where:
bonds (distance) C4'-P energy: -64.394
bonds (distance) P-C4' energy: -56.435
flat angles C4'-P-C4' energy: -68.401
flat angles P-C4'-P energy: -37.520
tors. eta vs tors. theta energy: -63.594
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: 29
Temperature: 1.050000
Total energy: -758.316372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.316372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.316372 (E_RNA)
where:
Base-Base interactions energy: -474.286
where: short stacking energy: -224.854
Base-Backbone interact. energy: -0.391
local terms energy: -283.639872
where:
bonds (distance) C4'-P energy: -61.570
bonds (distance) P-C4' energy: -57.104
flat angles C4'-P-C4' energy: -66.232
flat angles P-C4'-P energy: -43.895
tors. eta vs tors. theta energy: -54.840
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: 5, replica: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -713.434218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.434218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.434218 (E_RNA)
where:
Base-Base interactions energy: -456.553
where: short stacking energy: -224.163
Base-Backbone interact. energy: -0.737
local terms energy: -256.143735
where:
bonds (distance) C4'-P energy: -51.856
bonds (distance) P-C4' energy: -53.207
flat angles C4'-P-C4' energy: -65.280
flat angles P-C4'-P energy: -37.002
tors. eta vs tors. theta energy: -48.798
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: 6, replica: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -649.169103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.169103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.169103 (E_RNA)
where:
Base-Base interactions energy: -400.003
where: short stacking energy: -187.323
Base-Backbone interact. energy: -1.088
local terms energy: -248.078270
where:
bonds (distance) C4'-P energy: -54.307
bonds (distance) P-C4' energy: -62.921
flat angles C4'-P-C4' energy: -53.793
flat angles P-C4'-P energy: -32.561
tors. eta vs tors. theta energy: -44.496
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: 6
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -499.935837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.935837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.935837 (E_RNA)
where:
Base-Base interactions energy: -261.061
where: short stacking energy: -163.234
Base-Backbone interact. energy: 0.094
local terms energy: -238.968401
where:
bonds (distance) C4'-P energy: -57.179
bonds (distance) P-C4' energy: -63.257
flat angles C4'-P-C4' energy: -57.931
flat angles P-C4'-P energy: -36.583
tors. eta vs tors. theta energy: -24.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -375.698049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.698049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.698049 (E_RNA)
where:
Base-Base interactions energy: -172.802
where: short stacking energy: -117.112
Base-Backbone interact. energy: -1.535
local terms energy: -201.360682
where:
bonds (distance) C4'-P energy: -60.958
bonds (distance) P-C4' energy: -55.668
flat angles C4'-P-C4' energy: -47.458
flat angles P-C4'-P energy: -18.015
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: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -284.274472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.274472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.274472 (E_RNA)
where:
Base-Base interactions energy: -125.096
where: short stacking energy: -83.796
Base-Backbone interact. energy: -0.821
local terms energy: -158.357356
where:
bonds (distance) C4'-P energy: -45.027
bonds (distance) P-C4' energy: -64.435
flat angles C4'-P-C4' energy: -40.245
flat angles P-C4'-P energy: -20.870
tors. eta vs tors. theta energy: 12.219
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: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -285.311864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.311864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.311864 (E_RNA)
where:
Base-Base interactions energy: -105.418
where: short stacking energy: -99.088
Base-Backbone interact. energy: 0.607
local terms energy: -180.500857
where:
bonds (distance) C4'-P energy: -55.146
bonds (distance) P-C4' energy: -56.991
flat angles C4'-P-C4' energy: -41.612
flat angles P-C4'-P energy: -26.833
tors. eta vs tors. theta energy: 0.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -911.539997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.539997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.539997 (E_RNA)
where:
Base-Base interactions energy: -585.048
where: short stacking energy: -256.301
Base-Backbone interact. energy: -2.365
local terms energy: -324.127144
where:
bonds (distance) C4'-P energy: -64.697
bonds (distance) P-C4' energy: -62.472
flat angles C4'-P-C4' energy: -78.202
flat angles P-C4'-P energy: -50.063
tors. eta vs tors. theta energy: -68.693
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: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -821.348205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.348205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.348205 (E_RNA)
where:
Base-Base interactions energy: -509.685
where: short stacking energy: -265.238
Base-Backbone interact. energy: -2.866
local terms energy: -308.796994
where:
bonds (distance) C4'-P energy: -56.748
bonds (distance) P-C4' energy: -62.205
flat angles C4'-P-C4' energy: -63.603
flat angles P-C4'-P energy: -50.092
tors. eta vs tors. theta energy: -76.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -825.273102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.273102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.273102 (E_RNA)
where:
Base-Base interactions energy: -539.537
where: short stacking energy: -245.207
Base-Backbone interact. energy: -1.316
local terms energy: -284.420196
where:
bonds (distance) C4'-P energy: -53.968
bonds (distance) P-C4' energy: -48.056
flat angles C4'-P-C4' energy: -69.710
flat angles P-C4'-P energy: -43.787
tors. eta vs tors. theta energy: -68.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -765.746993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.746993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.746993 (E_RNA)
where:
Base-Base interactions energy: -481.387
where: short stacking energy: -237.714
Base-Backbone interact. energy: -2.566
local terms energy: -281.793944
where:
bonds (distance) C4'-P energy: -48.634
bonds (distance) P-C4' energy: -55.192
flat angles C4'-P-C4' energy: -60.739
flat angles P-C4'-P energy: -47.622
tors. eta vs tors. theta energy: -69.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -697.364924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.364924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.364924 (E_RNA)
where:
Base-Base interactions energy: -465.443
where: short stacking energy: -199.365
Base-Backbone interact. energy: -3.480
local terms energy: -228.442064
where:
bonds (distance) C4'-P energy: -40.851
bonds (distance) P-C4' energy: -57.657
flat angles C4'-P-C4' energy: -58.833
flat angles P-C4'-P energy: -29.569
tors. eta vs tors. theta energy: -41.533
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: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -649.853136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.853136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.853136 (E_RNA)
where:
Base-Base interactions energy: -389.139
where: short stacking energy: -197.700
Base-Backbone interact. energy: 3.393
local terms energy: -264.107308
where:
bonds (distance) C4'-P energy: -55.476
bonds (distance) P-C4' energy: -61.989
flat angles C4'-P-C4' energy: -43.603
flat angles P-C4'-P energy: -50.531
tors. eta vs tors. theta energy: -52.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -518.975837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.975837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.975837 (E_RNA)
where:
Base-Base interactions energy: -296.314
where: short stacking energy: -149.710
Base-Backbone interact. energy: -4.000
local terms energy: -218.662465
where:
bonds (distance) C4'-P energy: -49.399
bonds (distance) P-C4' energy: -58.581
flat angles C4'-P-C4' energy: -57.268
flat angles P-C4'-P energy: -30.965
tors. eta vs tors. theta energy: -22.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -387.114928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.114928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.114928 (E_RNA)
where:
Base-Base interactions energy: -186.838
where: short stacking energy: -134.061
Base-Backbone interact. energy: 4.127
local terms energy: -204.403933
where:
bonds (distance) C4'-P energy: -48.141
bonds (distance) P-C4' energy: -52.317
flat angles C4'-P-C4' energy: -59.605
flat angles P-C4'-P energy: -28.542
tors. eta vs tors. theta energy: -15.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -315.107531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.107531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.107531 (E_RNA)
where:
Base-Base interactions energy: -120.659
where: short stacking energy: -102.506
Base-Backbone interact. energy: 0.696
local terms energy: -195.144536
where:
bonds (distance) C4'-P energy: -55.418
bonds (distance) P-C4' energy: -56.647
flat angles C4'-P-C4' energy: -48.663
flat angles P-C4'-P energy: -32.231
tors. eta vs tors. theta energy: -2.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -279.801320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.801320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.801320 (E_RNA)
where:
Base-Base interactions energy: -92.205
where: short stacking energy: -85.141
Base-Backbone interact. energy: -1.241
local terms energy: -186.355756
where:
bonds (distance) C4'-P energy: -48.651
bonds (distance) P-C4' energy: -67.913
flat angles C4'-P-C4' energy: -42.560
flat angles P-C4'-P energy: -25.509
tors. eta vs tors. theta energy: -1.722
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: 1, replica: 8
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -936.267622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.267622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.267622 (E_RNA)
where:
Base-Base interactions energy: -604.218
where: short stacking energy: -283.254
Base-Backbone interact. energy: -1.345
local terms energy: -330.704924
where:
bonds (distance) C4'-P energy: -65.462
bonds (distance) P-C4' energy: -80.359
flat angles C4'-P-C4' energy: -70.898
flat angles P-C4'-P energy: -36.413
tors. eta vs tors. theta energy: -77.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -856.418822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.418822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.418822 (E_RNA)
where:
Base-Base interactions energy: -528.280
where: short stacking energy: -255.140
Base-Backbone interact. energy: -0.331
local terms energy: -327.807367
where:
bonds (distance) C4'-P energy: -60.417
bonds (distance) P-C4' energy: -76.579
flat angles C4'-P-C4' energy: -71.259
flat angles P-C4'-P energy: -49.034
tors. eta vs tors. theta energy: -70.518
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: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -790.491326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.491326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.491326 (E_RNA)
where:
Base-Base interactions energy: -512.150
where: short stacking energy: -246.143
Base-Backbone interact. energy: -0.105
local terms energy: -278.236231
where:
bonds (distance) C4'-P energy: -57.044
bonds (distance) P-C4' energy: -67.231
flat angles C4'-P-C4' energy: -63.645
flat angles P-C4'-P energy: -37.085
tors. eta vs tors. theta energy: -53.232
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: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -747.977459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.977459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.977459 (E_RNA)
where:
Base-Base interactions energy: -475.093
where: short stacking energy: -221.394
Base-Backbone interact. energy: -3.927
local terms energy: -268.958393
where:
bonds (distance) C4'-P energy: -55.331
bonds (distance) P-C4' energy: -56.619
flat angles C4'-P-C4' energy: -58.221
flat angles P-C4'-P energy: -38.158
tors. eta vs tors. theta energy: -60.630
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: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -707.340973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.340973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.340973 (E_RNA)
where:
Base-Base interactions energy: -446.054
where: short stacking energy: -190.742
Base-Backbone interact. energy: -2.028
local terms energy: -259.258250
where:
bonds (distance) C4'-P energy: -60.409
bonds (distance) P-C4' energy: -65.042
flat angles C4'-P-C4' energy: -49.124
flat angles P-C4'-P energy: -41.881
tors. eta vs tors. theta energy: -42.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -693.136278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.136278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.136278 (E_RNA)
where:
Base-Base interactions energy: -440.430
where: short stacking energy: -218.353
Base-Backbone interact. energy: -0.565
local terms energy: -252.141168
where:
bonds (distance) C4'-P energy: -39.116
bonds (distance) P-C4' energy: -55.630
flat angles C4'-P-C4' energy: -52.223
flat angles P-C4'-P energy: -44.526
tors. eta vs tors. theta energy: -60.646
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: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -517.593555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.593555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.593555 (E_RNA)
where:
Base-Base interactions energy: -283.474
where: short stacking energy: -152.331
Base-Backbone interact. energy: 1.474
local terms energy: -235.594252
where:
bonds (distance) C4'-P energy: -49.133
bonds (distance) P-C4' energy: -65.525
flat angles C4'-P-C4' energy: -63.454
flat angles P-C4'-P energy: -33.914
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -384.740027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.740027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.740027 (E_RNA)
where:
Base-Base interactions energy: -181.548
where: short stacking energy: -108.030
Base-Backbone interact. energy: -1.524
local terms energy: -201.668425
where:
bonds (distance) C4'-P energy: -46.563
bonds (distance) P-C4' energy: -60.359
flat angles C4'-P-C4' energy: -61.112
flat angles P-C4'-P energy: -28.251
tors. eta vs tors. theta energy: -5.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -301.766140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.766140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.766140 (E_RNA)
where:
Base-Base interactions energy: -114.571
where: short stacking energy: -95.011
Base-Backbone interact. energy: 1.056
local terms energy: -188.251184
where:
bonds (distance) C4'-P energy: -50.042
bonds (distance) P-C4' energy: -57.180
flat angles C4'-P-C4' energy: -45.093
flat angles P-C4'-P energy: -44.366
tors. eta vs tors. theta energy: 8.431
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: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -318.146107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.146107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.146107 (E_RNA)
where:
Base-Base interactions energy: -144.336
where: short stacking energy: -82.979
Base-Backbone interact. energy: -1.031
local terms energy: -172.779410
where:
bonds (distance) C4'-P energy: -55.004
bonds (distance) P-C4' energy: -51.606
flat angles C4'-P-C4' energy: -42.172
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -921.451306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.451306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.451306 (E_RNA)
where:
Base-Base interactions energy: -603.286
where: short stacking energy: -294.487
Base-Backbone interact. energy: 0.076
local terms energy: -318.241354
where:
bonds (distance) C4'-P energy: -53.551
bonds (distance) P-C4' energy: -65.273
flat angles C4'-P-C4' energy: -74.463
flat angles P-C4'-P energy: -49.707
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: 2, replica: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -859.437451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.437451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.437451 (E_RNA)
where:
Base-Base interactions energy: -538.020
where: short stacking energy: -261.700
Base-Backbone interact. energy: 0.367
local terms energy: -321.784468
where:
bonds (distance) C4'-P energy: -58.278
bonds (distance) P-C4' energy: -71.765
flat angles C4'-P-C4' energy: -68.884
flat angles P-C4'-P energy: -49.544
tors. eta vs tors. theta energy: -73.313
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: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -762.727176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.727176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.727176 (E_RNA)
where:
Base-Base interactions energy: -474.213
where: short stacking energy: -244.826
Base-Backbone interact. energy: 0.338
local terms energy: -288.851702
where:
bonds (distance) C4'-P energy: -57.788
bonds (distance) P-C4' energy: -63.717
flat angles C4'-P-C4' energy: -72.837
flat angles P-C4'-P energy: -32.609
tors. eta vs tors. theta energy: -61.901
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: 4, replica: 2
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -807.634508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.634508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.634508 (E_RNA)
where:
Base-Base interactions energy: -513.964
where: short stacking energy: -240.519
Base-Backbone interact. energy: -1.480
local terms energy: -292.189975
where:
bonds (distance) C4'-P energy: -65.579
bonds (distance) P-C4' energy: -61.392
flat angles C4'-P-C4' energy: -67.226
flat angles P-C4'-P energy: -34.451
tors. eta vs tors. theta energy: -63.542
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: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -728.051962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.051962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.051962 (E_RNA)
where:
Base-Base interactions energy: -445.473
where: short stacking energy: -208.555
Base-Backbone interact. energy: -2.576
local terms energy: -280.003082
where:
bonds (distance) C4'-P energy: -56.862
bonds (distance) P-C4' energy: -59.730
flat angles C4'-P-C4' energy: -72.478
flat angles P-C4'-P energy: -44.878
tors. eta vs tors. theta energy: -46.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -676.612656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.612656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.612656 (E_RNA)
where:
Base-Base interactions energy: -419.571
where: short stacking energy: -183.808
Base-Backbone interact. energy: -1.264
local terms energy: -255.777021
where:
bonds (distance) C4'-P energy: -56.318
bonds (distance) P-C4' energy: -58.392
flat angles C4'-P-C4' energy: -52.362
flat angles P-C4'-P energy: -41.961
tors. eta vs tors. theta energy: -46.745
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: 6
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -445.989552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.989552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.989552 (E_RNA)
where:
Base-Base interactions energy: -225.740
where: short stacking energy: -131.590
Base-Backbone interact. energy: -1.046
local terms energy: -219.203582
where:
bonds (distance) C4'-P energy: -55.310
bonds (distance) P-C4' energy: -68.152
flat angles C4'-P-C4' energy: -53.107
flat angles P-C4'-P energy: -30.528
tors. eta vs tors. theta energy: -12.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -368.322684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.322684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.322684 (E_RNA)
where:
Base-Base interactions energy: -170.352
where: short stacking energy: -106.102
Base-Backbone interact. energy: 0.143
local terms energy: -198.113985
where:
bonds (distance) C4'-P energy: -34.242
bonds (distance) P-C4' energy: -68.987
flat angles C4'-P-C4' energy: -49.510
flat angles P-C4'-P energy: -44.615
tors. eta vs tors. theta energy: -0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -374.262552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.262552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.262552 (E_RNA)
where:
Base-Base interactions energy: -187.553
where: short stacking energy: -97.648
Base-Backbone interact. energy: 1.160
local terms energy: -187.869213
where:
bonds (distance) C4'-P energy: -53.231
bonds (distance) P-C4' energy: -53.867
flat angles C4'-P-C4' energy: -38.028
flat angles P-C4'-P energy: -36.448
tors. eta vs tors. theta energy: -6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -269.250974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.250974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.250974 (E_RNA)
where:
Base-Base interactions energy: -118.381
where: short stacking energy: -83.779
Base-Backbone interact. energy: -0.032
local terms energy: -150.837360
where:
bonds (distance) C4'-P energy: -48.872
bonds (distance) P-C4' energy: -45.098
flat angles C4'-P-C4' energy: -42.203
flat angles P-C4'-P energy: -21.959
tors. eta vs tors. theta energy: 7.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -954.044743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.044743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.044743 (E_RNA)
where:
Base-Base interactions energy: -636.163
where: short stacking energy: -256.196
Base-Backbone interact. energy: -1.017
local terms energy: -316.864597
where:
bonds (distance) C4'-P energy: -57.688
bonds (distance) P-C4' energy: -61.585
flat angles C4'-P-C4' energy: -77.250
flat angles P-C4'-P energy: -45.597
tors. eta vs tors. theta energy: -74.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -895.396436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.396436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.396436 (E_RNA)
where:
Base-Base interactions energy: -591.791
where: short stacking energy: -280.165
Base-Backbone interact. energy: 0.650
local terms energy: -306.478063
where:
bonds (distance) C4'-P energy: -59.374
bonds (distance) P-C4' energy: -58.576
flat angles C4'-P-C4' energy: -69.039
flat angles P-C4'-P energy: -46.922
tors. eta vs tors. theta energy: -72.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.222 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -793.571165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.571165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.571165 (E_RNA)
where:
Base-Base interactions energy: -480.193
where: short stacking energy: -230.970
Base-Backbone interact. energy: 1.700
local terms energy: -315.078248
where:
bonds (distance) C4'-P energy: -66.723
bonds (distance) P-C4' energy: -70.145
flat angles C4'-P-C4' energy: -66.973
flat angles P-C4'-P energy: -50.062
tors. eta vs tors. theta energy: -61.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -808.602869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.602869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.602869 (E_RNA)
where:
Base-Base interactions energy: -509.093
where: short stacking energy: -239.373
Base-Backbone interact. energy: -1.052
local terms energy: -298.458191
where:
bonds (distance) C4'-P energy: -55.261
bonds (distance) P-C4' energy: -68.658
flat angles C4'-P-C4' energy: -67.348
flat angles P-C4'-P energy: -40.548
tors. eta vs tors. theta energy: -66.644
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: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -724.724324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.724324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.724324 (E_RNA)
where:
Base-Base interactions energy: -456.354
where: short stacking energy: -228.825
Base-Backbone interact. energy: -1.258
local terms energy: -267.112549
where:
bonds (distance) C4'-P energy: -59.687
bonds (distance) P-C4' energy: -57.915
flat angles C4'-P-C4' energy: -57.422
flat angles P-C4'-P energy: -47.422
tors. eta vs tors. theta energy: -44.667
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: 33
Temperature: 1.150000
Total energy: -617.220678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.220678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.220678 (E_RNA)
where:
Base-Base interactions energy: -363.980
where: short stacking energy: -189.199
Base-Backbone interact. energy: -0.822
local terms energy: -252.418145
where:
bonds (distance) C4'-P energy: -50.314
bonds (distance) P-C4' energy: -55.543
flat angles C4'-P-C4' energy: -64.110
flat angles P-C4'-P energy: -38.738
tors. eta vs tors. theta energy: -43.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -432.120494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.120494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.120494 (E_RNA)
where:
Base-Base interactions energy: -211.061
where: short stacking energy: -134.631
Base-Backbone interact. energy: -1.558
local terms energy: -219.501336
where:
bonds (distance) C4'-P energy: -57.277
bonds (distance) P-C4' energy: -48.296
flat angles C4'-P-C4' energy: -61.434
flat angles P-C4'-P energy: -33.757
tors. eta vs tors. theta energy: -18.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -445.958246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.958246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.958246 (E_RNA)
where:
Base-Base interactions energy: -256.571
where: short stacking energy: -151.819
Base-Backbone interact. energy: 2.045
local terms energy: -191.432545
where:
bonds (distance) C4'-P energy: -35.226
bonds (distance) P-C4' energy: -55.710
flat angles C4'-P-C4' energy: -53.442
flat angles P-C4'-P energy: -30.831
tors. eta vs tors. theta energy: -16.224
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: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -352.079193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.079193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.079193 (E_RNA)
where:
Base-Base interactions energy: -172.157
where: short stacking energy: -112.563
Base-Backbone interact. energy: 1.317
local terms energy: -181.238929
where:
bonds (distance) C4'-P energy: -52.030
bonds (distance) P-C4' energy: -49.403
flat angles C4'-P-C4' energy: -40.140
flat angles P-C4'-P energy: -30.090
tors. eta vs tors. theta energy: -9.577
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: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -269.321824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.321824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.321824 (E_RNA)
where:
Base-Base interactions energy: -79.889
where: short stacking energy: -61.836
Base-Backbone interact. energy: -0.072
local terms energy: -189.361455
where:
bonds (distance) C4'-P energy: -57.600
bonds (distance) P-C4' energy: -60.899
flat angles C4'-P-C4' energy: -46.479
flat angles P-C4'-P energy: -36.523
tors. eta vs tors. theta energy: 12.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -945.961311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.961311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.961311 (E_RNA)
where:
Base-Base interactions energy: -608.786
where: short stacking energy: -290.420
Base-Backbone interact. energy: -0.705
local terms energy: -336.469962
where:
bonds (distance) C4'-P energy: -64.739
bonds (distance) P-C4' energy: -66.405
flat angles C4'-P-C4' energy: -69.824
flat angles P-C4'-P energy: -52.070
tors. eta vs tors. theta energy: -83.432
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: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -878.861829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.861829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.861829 (E_RNA)
where:
Base-Base interactions energy: -566.295
where: short stacking energy: -264.000
Base-Backbone interact. energy: -0.512
local terms energy: -312.956003
where:
bonds (distance) C4'-P energy: -66.946
bonds (distance) P-C4' energy: -57.824
flat angles C4'-P-C4' energy: -67.388
flat angles P-C4'-P energy: -46.521
tors. eta vs tors. theta energy: -74.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.901 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -904.824325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.824325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.824325 (E_RNA)
where:
Base-Base interactions energy: -589.829
where: short stacking energy: -251.991
Base-Backbone interact. energy: -2.333
local terms energy: -312.662985
where:
bonds (distance) C4'-P energy: -57.942
bonds (distance) P-C4' energy: -58.486
flat angles C4'-P-C4' energy: -67.605
flat angles P-C4'-P energy: -42.119
tors. eta vs tors. theta energy: -86.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -759.093619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.093619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.093619 (E_RNA)
where:
Base-Base interactions energy: -460.569
where: short stacking energy: -238.610
Base-Backbone interact. energy: -1.100
local terms energy: -297.424783
where:
bonds (distance) C4'-P energy: -62.243
bonds (distance) P-C4' energy: -66.087
flat angles C4'-P-C4' energy: -59.462
flat angles P-C4'-P energy: -44.005
tors. eta vs tors. theta energy: -65.628
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: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -725.855490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.855490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.855490 (E_RNA)
where:
Base-Base interactions energy: -461.860
where: short stacking energy: -216.730
Base-Backbone interact. energy: -2.151
local terms energy: -261.844889
where:
bonds (distance) C4'-P energy: -56.382
bonds (distance) P-C4' energy: -52.901
flat angles C4'-P-C4' energy: -52.615
flat angles P-C4'-P energy: -43.469
tors. eta vs tors. theta energy: -56.478
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: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -676.285747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.285747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.285747 (E_RNA)
where:
Base-Base interactions energy: -426.924
where: short stacking energy: -201.728
Base-Backbone interact. energy: 3.457
local terms energy: -252.818809
where:
bonds (distance) C4'-P energy: -57.106
bonds (distance) P-C4' energy: -52.652
flat angles C4'-P-C4' energy: -60.342
flat angles P-C4'-P energy: -39.540
tors. eta vs tors. theta energy: -43.179
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: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -446.181088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.181088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.181088 (E_RNA)
where:
Base-Base interactions energy: -249.778
where: short stacking energy: -122.482
Base-Backbone interact. energy: -0.874
local terms energy: -195.529895
where:
bonds (distance) C4'-P energy: -39.035
bonds (distance) P-C4' energy: -62.216
flat angles C4'-P-C4' energy: -54.527
flat angles P-C4'-P energy: -36.124
tors. eta vs tors. theta energy: -3.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -406.762251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.762251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.762251 (E_RNA)
where:
Base-Base interactions energy: -195.295
where: short stacking energy: -105.115
Base-Backbone interact. energy: 3.676
local terms energy: -215.143745
where:
bonds (distance) C4'-P energy: -51.367
bonds (distance) P-C4' energy: -70.684
flat angles C4'-P-C4' energy: -55.394
flat angles P-C4'-P energy: -32.664
tors. eta vs tors. theta energy: -5.035
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: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -310.140349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.140349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.140349 (E_RNA)
where:
Base-Base interactions energy: -116.442
where: short stacking energy: -103.464
Base-Backbone interact. energy: -0.572
local terms energy: -193.578180
where:
bonds (distance) C4'-P energy: -62.538
bonds (distance) P-C4' energy: -57.541
flat angles C4'-P-C4' energy: -50.181
flat angles P-C4'-P energy: -25.684
tors. eta vs tors. theta energy: 2.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.451 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -315.233095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.233095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.233095 (E_RNA)
where:
Base-Base interactions energy: -141.384
where: short stacking energy: -79.808
Base-Backbone interact. energy: 1.703
local terms energy: -175.552864
where:
bonds (distance) C4'-P energy: -55.056
bonds (distance) P-C4' energy: -63.232
flat angles C4'-P-C4' energy: -52.291
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: 8.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -944.868667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.868667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.868667 (E_RNA)
where:
Base-Base interactions energy: -628.619
where: short stacking energy: -297.472
Base-Backbone interact. energy: -1.702
local terms energy: -314.547548
where:
bonds (distance) C4'-P energy: -58.939
bonds (distance) P-C4' energy: -71.545
flat angles C4'-P-C4' energy: -68.231
flat angles P-C4'-P energy: -37.791
tors. eta vs tors. theta energy: -78.042
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: 35
Temperature: 0.950000
Total energy: -946.412478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.412478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.412478 (E_RNA)
where:
Base-Base interactions energy: -618.589
where: short stacking energy: -287.197
Base-Backbone interact. energy: 1.193
local terms energy: -329.152119
where:
bonds (distance) C4'-P energy: -63.514
bonds (distance) P-C4' energy: -71.133
flat angles C4'-P-C4' energy: -68.840
flat angles P-C4'-P energy: -38.995
tors. eta vs tors. theta energy: -86.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.136 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -863.207313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.207313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.207313 (E_RNA)
where:
Base-Base interactions energy: -567.127
where: short stacking energy: -280.628
Base-Backbone interact. energy: 2.032
local terms energy: -298.111506
where:
bonds (distance) C4'-P energy: -66.758
bonds (distance) P-C4' energy: -54.695
flat angles C4'-P-C4' energy: -59.112
flat angles P-C4'-P energy: -43.837
tors. eta vs tors. theta energy: -73.709
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: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -754.493409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.493409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.493409 (E_RNA)
where:
Base-Base interactions energy: -460.199
where: short stacking energy: -244.466
Base-Backbone interact. energy: -2.127
local terms energy: -292.168116
where:
bonds (distance) C4'-P energy: -72.694
bonds (distance) P-C4' energy: -56.089
flat angles C4'-P-C4' energy: -63.373
flat angles P-C4'-P energy: -46.991
tors. eta vs tors. theta energy: -53.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -711.926566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.926566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.926566 (E_RNA)
where:
Base-Base interactions energy: -458.382
where: short stacking energy: -203.852
Base-Backbone interact. energy: 0.435
local terms energy: -253.979595
where:
bonds (distance) C4'-P energy: -57.219
bonds (distance) P-C4' energy: -56.641
flat angles C4'-P-C4' energy: -61.022
flat angles P-C4'-P energy: -32.766
tors. eta vs tors. theta energy: -46.332
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: 6, replica: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -700.858870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.858870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.858870 (E_RNA)
where:
Base-Base interactions energy: -445.719
where: short stacking energy: -206.719
Base-Backbone interact. energy: -1.139
local terms energy: -254.001333
where:
bonds (distance) C4'-P energy: -53.797
bonds (distance) P-C4' energy: -50.281
flat angles C4'-P-C4' energy: -61.910
flat angles P-C4'-P energy: -37.787
tors. eta vs tors. theta energy: -50.226
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: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -463.122454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.122454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.122454 (E_RNA)
where:
Base-Base interactions energy: -249.505
where: short stacking energy: -127.389
Base-Backbone interact. energy: 0.644
local terms energy: -214.261229
where:
bonds (distance) C4'-P energy: -54.753
bonds (distance) P-C4' energy: -66.611
flat angles C4'-P-C4' energy: -43.291
flat angles P-C4'-P energy: -36.212
tors. eta vs tors. theta energy: -13.394
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: 10
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -360.618067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.618067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.618067 (E_RNA)
where:
Base-Base interactions energy: -161.093
where: short stacking energy: -118.129
Base-Backbone interact. energy: 3.925
local terms energy: -203.449151
where:
bonds (distance) C4'-P energy: -55.311
bonds (distance) P-C4' energy: -65.971
flat angles C4'-P-C4' energy: -45.954
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -21.586
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: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -335.139246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.139246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.139246 (E_RNA)
where:
Base-Base interactions energy: -161.042
where: short stacking energy: -92.019
Base-Backbone interact. energy: 0.370
local terms energy: -174.467361
where:
bonds (distance) C4'-P energy: -53.396
bonds (distance) P-C4' energy: -58.075
flat angles C4'-P-C4' energy: -57.844
flat angles P-C4'-P energy: -17.196
tors. eta vs tors. theta energy: 12.043
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: 5
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -349.002019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.002019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.002019 (E_RNA)
where:
Base-Base interactions energy: -147.675
where: short stacking energy: -96.940
Base-Backbone interact. energy: -0.387
local terms energy: -200.939830
where:
bonds (distance) C4'-P energy: -64.864
bonds (distance) P-C4' energy: -73.581
flat angles C4'-P-C4' energy: -41.245
flat angles P-C4'-P energy: -22.117
tors. eta vs tors. theta energy: 0.867
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: 2
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -981.533873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.533873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.533873 (E_RNA)
where:
Base-Base interactions energy: -646.101
where: short stacking energy: -277.861
Base-Backbone interact. energy: -1.753
local terms energy: -333.680255
where:
bonds (distance) C4'-P energy: -72.484
bonds (distance) P-C4' energy: -70.362
flat angles C4'-P-C4' energy: -72.536
flat angles P-C4'-P energy: -39.310
tors. eta vs tors. theta energy: -78.989
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: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -910.652717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.652717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.652717 (E_RNA)
where:
Base-Base interactions energy: -588.393
where: short stacking energy: -289.932
Base-Backbone interact. energy: -0.904
local terms energy: -321.355907
where:
bonds (distance) C4'-P energy: -64.509
bonds (distance) P-C4' energy: -60.741
flat angles C4'-P-C4' energy: -70.518
flat angles P-C4'-P energy: -44.968
tors. eta vs tors. theta energy: -80.620
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: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -899.584122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.584122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.584122 (E_RNA)
where:
Base-Base interactions energy: -590.054
where: short stacking energy: -266.001
Base-Backbone interact. energy: 0.472
local terms energy: -310.001892
where:
bonds (distance) C4'-P energy: -50.562
bonds (distance) P-C4' energy: -67.087
flat angles C4'-P-C4' energy: -73.270
flat angles P-C4'-P energy: -45.875
tors. eta vs tors. theta energy: -73.208
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: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -725.497504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.497504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.497504 (E_RNA)
where:
Base-Base interactions energy: -445.687
where: short stacking energy: -239.932
Base-Backbone interact. energy: -0.417
local terms energy: -279.393579
where:
bonds (distance) C4'-P energy: -55.543
bonds (distance) P-C4' energy: -62.310
flat angles C4'-P-C4' energy: -57.550
flat angles P-C4'-P energy: -41.297
tors. eta vs tors. theta energy: -62.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -733.979888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.979888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.979888 (E_RNA)
where:
Base-Base interactions energy: -464.753
where: short stacking energy: -230.712
Base-Backbone interact. energy: 0.949
local terms energy: -270.176670
where:
bonds (distance) C4'-P energy: -54.972
bonds (distance) P-C4' energy: -57.607
flat angles C4'-P-C4' energy: -61.034
flat angles P-C4'-P energy: -42.124
tors. eta vs tors. theta energy: -54.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -674.737431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.737431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.737431 (E_RNA)
where:
Base-Base interactions energy: -414.585
where: short stacking energy: -209.027
Base-Backbone interact. energy: -1.096
local terms energy: -259.056359
where:
bonds (distance) C4'-P energy: -55.608
bonds (distance) P-C4' energy: -62.104
flat angles C4'-P-C4' energy: -52.723
flat angles P-C4'-P energy: -40.779
tors. eta vs tors. theta energy: -47.843
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: 7, replica: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -467.619049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.619049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.619049 (E_RNA)
where:
Base-Base interactions energy: -260.321
where: short stacking energy: -158.456
Base-Backbone interact. energy: -1.985
local terms energy: -205.312630
where:
bonds (distance) C4'-P energy: -54.390
bonds (distance) P-C4' energy: -53.941
flat angles C4'-P-C4' energy: -50.296
flat angles P-C4'-P energy: -22.440
tors. eta vs tors. theta energy: -24.245
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: 8, replica: 10
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -352.463512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.463512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.463512 (E_RNA)
where:
Base-Base interactions energy: -163.371
where: short stacking energy: -94.296
Base-Backbone interact. energy: 0.133
local terms energy: -189.225759
where:
bonds (distance) C4'-P energy: -63.913
bonds (distance) P-C4' energy: -63.994
flat angles C4'-P-C4' energy: -39.251
flat angles P-C4'-P energy: -25.996
tors. eta vs tors. theta energy: 3.929
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: 5
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -292.671090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.671090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.671090 (E_RNA)
where:
Base-Base interactions energy: -106.902
where: short stacking energy: -73.377
Base-Backbone interact. energy: -0.743
local terms energy: -185.026191
where:
bonds (distance) C4'-P energy: -60.703
bonds (distance) P-C4' energy: -68.904
flat angles C4'-P-C4' energy: -28.684
flat angles P-C4'-P energy: -30.700
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: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -272.301337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.301337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.301337 (E_RNA)
where:
Base-Base interactions energy: -85.307
where: short stacking energy: -79.025
Base-Backbone interact. energy: -0.829
local terms energy: -186.165704
where:
bonds (distance) C4'-P energy: -44.379
bonds (distance) P-C4' energy: -68.469
flat angles C4'-P-C4' energy: -56.690
flat angles P-C4'-P energy: -26.235
tors. eta vs tors. theta energy: 9.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -989.379791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.379791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.379791 (E_RNA)
where:
Base-Base interactions energy: -657.856
where: short stacking energy: -290.936
Base-Backbone interact. energy: -2.141
local terms energy: -329.383404
where:
bonds (distance) C4'-P energy: -59.580
bonds (distance) P-C4' energy: -68.973
flat angles C4'-P-C4' energy: -75.167
flat angles P-C4'-P energy: -39.051
tors. eta vs tors. theta energy: -86.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -893.671689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.671689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.671689 (E_RNA)
where:
Base-Base interactions energy: -578.297
where: short stacking energy: -279.690
Base-Backbone interact. energy: -0.876
local terms energy: -314.499389
where:
bonds (distance) C4'-P energy: -64.737
bonds (distance) P-C4' energy: -67.974
flat angles C4'-P-C4' energy: -60.681
flat angles P-C4'-P energy: -50.651
tors. eta vs tors. theta energy: -70.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -887.659111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.659111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.659111 (E_RNA)
where:
Base-Base interactions energy: -583.219
where: short stacking energy: -277.307
Base-Backbone interact. energy: 2.356
local terms energy: -306.796199
where:
bonds (distance) C4'-P energy: -60.426
bonds (distance) P-C4' energy: -58.532
flat angles C4'-P-C4' energy: -68.468
flat angles P-C4'-P energy: -37.995
tors. eta vs tors. theta energy: -81.374
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: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -761.540414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.540414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.540414 (E_RNA)
where:
Base-Base interactions energy: -450.988
where: short stacking energy: -215.913
Base-Backbone interact. energy: -1.065
local terms energy: -309.487225
where:
bonds (distance) C4'-P energy: -72.143
bonds (distance) P-C4' energy: -62.428
flat angles C4'-P-C4' energy: -69.117
flat angles P-C4'-P energy: -52.953
tors. eta vs tors. theta energy: -52.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -683.580136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.580136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.580136 (E_RNA)
where:
Base-Base interactions energy: -426.906
where: short stacking energy: -200.421
Base-Backbone interact. energy: 0.669
local terms energy: -257.343896
where:
bonds (distance) C4'-P energy: -46.252
bonds (distance) P-C4' energy: -65.248
flat angles C4'-P-C4' energy: -66.827
flat angles P-C4'-P energy: -27.953
tors. eta vs tors. theta energy: -51.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -664.728068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.728068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.728068 (E_RNA)
where:
Base-Base interactions energy: -422.355
where: short stacking energy: -193.781
Base-Backbone interact. energy: 1.657
local terms energy: -244.030382
where:
bonds (distance) C4'-P energy: -60.066
bonds (distance) P-C4' energy: -63.667
flat angles C4'-P-C4' energy: -50.781
flat angles P-C4'-P energy: -29.103
tors. eta vs tors. theta energy: -40.415
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: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -514.461231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.461231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.461231 (E_RNA)
where:
Base-Base interactions energy: -277.814
where: short stacking energy: -144.491
Base-Backbone interact. energy: 1.817
local terms energy: -238.464007
where:
bonds (distance) C4'-P energy: -56.304
bonds (distance) P-C4' energy: -64.591
flat angles C4'-P-C4' energy: -47.079
flat angles P-C4'-P energy: -38.123
tors. eta vs tors. theta energy: -32.367
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: 8, replica: 5
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -350.370365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.370365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.370365 (E_RNA)
where:
Base-Base interactions energy: -145.594
where: short stacking energy: -78.671
Base-Backbone interact. energy: -1.450
local terms energy: -203.326334
where:
bonds (distance) C4'-P energy: -49.366
bonds (distance) P-C4' energy: -67.198
flat angles C4'-P-C4' energy: -56.258
flat angles P-C4'-P energy: -29.646
tors. eta vs tors. theta energy: -0.859
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: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -303.868469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.868469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.868469 (E_RNA)
where:
Base-Base interactions energy: -130.560
where: short stacking energy: -92.486
Base-Backbone interact. energy: 0.985
local terms energy: -174.468683
where:
bonds (distance) C4'-P energy: -50.668
bonds (distance) P-C4' energy: -60.467
flat angles C4'-P-C4' energy: -32.409
flat angles P-C4'-P energy: -29.846
tors. eta vs tors. theta energy: -1.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.176 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -266.411264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.411264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.411264 (E_RNA)
where:
Base-Base interactions energy: -97.749
where: short stacking energy: -74.254
Base-Backbone interact. energy: 2.062
local terms energy: -170.724880
where:
bonds (distance) C4'-P energy: -47.908
bonds (distance) P-C4' energy: -62.760
flat angles C4'-P-C4' energy: -48.867
flat angles P-C4'-P energy: -27.800
tors. eta vs tors. theta energy: 16.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -987.188649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.188649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.188649 (E_RNA)
where:
Base-Base interactions energy: -658.962
where: short stacking energy: -286.858
Base-Backbone interact. energy: -1.491
local terms energy: -326.736527
where:
bonds (distance) C4'-P energy: -54.963
bonds (distance) P-C4' energy: -63.098
flat angles C4'-P-C4' energy: -72.902
flat angles P-C4'-P energy: -52.738
tors. eta vs tors. theta energy: -83.035
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: 8
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -908.220421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.220421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.220421 (E_RNA)
where:
Base-Base interactions energy: -593.866
where: short stacking energy: -268.013
Base-Backbone interact. energy: 0.038
local terms energy: -314.392556
where:
bonds (distance) C4'-P energy: -62.992
bonds (distance) P-C4' energy: -66.606
flat angles C4'-P-C4' energy: -70.883
flat angles P-C4'-P energy: -37.550
tors. eta vs tors. theta energy: -76.362
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: 7
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -832.349373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.349373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.349373 (E_RNA)
where:
Base-Base interactions energy: -546.925
where: short stacking energy: -232.907
Base-Backbone interact. energy: -0.587
local terms energy: -284.837194
where:
bonds (distance) C4'-P energy: -59.074
bonds (distance) P-C4' energy: -59.661
flat angles C4'-P-C4' energy: -68.935
flat angles P-C4'-P energy: -47.402
tors. eta vs tors. theta energy: -49.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -778.974178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.974178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.974178 (E_RNA)
where:
Base-Base interactions energy: -486.010
where: short stacking energy: -251.358
Base-Backbone interact. energy: 0.209
local terms energy: -293.173040
where:
bonds (distance) C4'-P energy: -52.139
bonds (distance) P-C4' energy: -67.602
flat angles C4'-P-C4' energy: -68.701
flat angles P-C4'-P energy: -39.160
tors. eta vs tors. theta energy: -65.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -690.266174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.266174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.266174 (E_RNA)
where:
Base-Base interactions energy: -420.332
where: short stacking energy: -217.899
Base-Backbone interact. energy: -0.402
local terms energy: -269.531987
where:
bonds (distance) C4'-P energy: -56.490
bonds (distance) P-C4' energy: -59.339
flat angles C4'-P-C4' energy: -61.719
flat angles P-C4'-P energy: -41.162
tors. eta vs tors. theta energy: -50.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -620.600633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.600633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.600633 (E_RNA)
where:
Base-Base interactions energy: -385.067
where: short stacking energy: -188.897
Base-Backbone interact. energy: -1.102
local terms energy: -234.432001
where:
bonds (distance) C4'-P energy: -48.589
bonds (distance) P-C4' energy: -50.106
flat angles C4'-P-C4' energy: -55.478
flat angles P-C4'-P energy: -41.336
tors. eta vs tors. theta energy: -38.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -457.844837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.844837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.844837 (E_RNA)
where:
Base-Base interactions energy: -245.910
where: short stacking energy: -150.383
Base-Backbone interact. energy: 0.271
local terms energy: -212.206379
where:
bonds (distance) C4'-P energy: -40.036
bonds (distance) P-C4' energy: -50.209
flat angles C4'-P-C4' energy: -55.859
flat angles P-C4'-P energy: -48.261
tors. eta vs tors. theta energy: -17.841
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: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -317.183094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.183094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.183094 (E_RNA)
where:
Base-Base interactions energy: -128.529
where: short stacking energy: -108.877
Base-Backbone interact. energy: -1.498
local terms energy: -187.155473
where:
bonds (distance) C4'-P energy: -46.378
bonds (distance) P-C4' energy: -54.259
flat angles C4'-P-C4' energy: -47.108
flat angles P-C4'-P energy: -39.690
tors. eta vs tors. theta energy: 0.279
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: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -287.366760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.366760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.366760 (E_RNA)
where:
Base-Base interactions energy: -112.089
where: short stacking energy: -89.051
Base-Backbone interact. energy: -1.222
local terms energy: -174.056390
where:
bonds (distance) C4'-P energy: -47.611
bonds (distance) P-C4' energy: -47.822
flat angles C4'-P-C4' energy: -45.365
flat angles P-C4'-P energy: -35.051
tors. eta vs tors. theta energy: 1.792
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: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -266.037162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.037162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.037162 (E_RNA)
where:
Base-Base interactions energy: -83.057
where: short stacking energy: -71.812
Base-Backbone interact. energy: -2.339
local terms energy: -180.641534
where:
bonds (distance) C4'-P energy: -55.720
bonds (distance) P-C4' energy: -52.342
flat angles C4'-P-C4' energy: -47.833
flat angles P-C4'-P energy: -23.979
tors. eta vs tors. theta energy: -0.768
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: 2
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -988.892389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.892389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.892389 (E_RNA)
where:
Base-Base interactions energy: -660.255
where: short stacking energy: -284.782
Base-Backbone interact. energy: -1.326
local terms energy: -327.311544
where:
bonds (distance) C4'-P energy: -69.494
bonds (distance) P-C4' energy: -65.348
flat angles C4'-P-C4' energy: -72.874
flat angles P-C4'-P energy: -38.380
tors. eta vs tors. theta energy: -81.216
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: 39
Temperature: 0.950000
Total energy: -906.728802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.728802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.728802 (E_RNA)
where:
Base-Base interactions energy: -600.337
where: short stacking energy: -281.364
Base-Backbone interact. energy: -0.217
local terms energy: -306.175362
where:
bonds (distance) C4'-P energy: -58.094
bonds (distance) P-C4' energy: -63.158
flat angles C4'-P-C4' energy: -70.298
flat angles P-C4'-P energy: -40.673
tors. eta vs tors. theta energy: -73.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -832.030278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.030278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.030278 (E_RNA)
where:
Base-Base interactions energy: -554.772
where: short stacking energy: -227.156
Base-Backbone interact. energy: -0.891
local terms energy: -276.455070
where:
bonds (distance) C4'-P energy: -47.101
bonds (distance) P-C4' energy: -66.762
flat angles C4'-P-C4' energy: -67.708
flat angles P-C4'-P energy: -43.648
tors. eta vs tors. theta energy: -51.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.088 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -759.410008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.410008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.410008 (E_RNA)
where:
Base-Base interactions energy: -463.471
where: short stacking energy: -238.973
Base-Backbone interact. energy: -0.506
local terms energy: -295.433270
where:
bonds (distance) C4'-P energy: -64.666
bonds (distance) P-C4' energy: -49.568
flat angles C4'-P-C4' energy: -74.129
flat angles P-C4'-P energy: -42.227
tors. eta vs tors. theta energy: -64.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -713.841877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.841877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.841877 (E_RNA)
where:
Base-Base interactions energy: -447.427
where: short stacking energy: -223.949
Base-Backbone interact. energy: -1.050
local terms energy: -265.365837
where:
bonds (distance) C4'-P energy: -51.974
bonds (distance) P-C4' energy: -60.404
flat angles C4'-P-C4' energy: -65.129
flat angles P-C4'-P energy: -40.167
tors. eta vs tors. theta energy: -47.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -591.618585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.618585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.618585 (E_RNA)
where:
Base-Base interactions energy: -349.497
where: short stacking energy: -172.593
Base-Backbone interact. energy: -2.494
local terms energy: -239.627681
where:
bonds (distance) C4'-P energy: -53.058
bonds (distance) P-C4' energy: -55.466
flat angles C4'-P-C4' energy: -56.174
flat angles P-C4'-P energy: -38.220
tors. eta vs tors. theta energy: -36.709
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: 7, replica: 9
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -497.438842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.438842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.438842 (E_RNA)
where:
Base-Base interactions energy: -262.765
where: short stacking energy: -144.585
Base-Backbone interact. energy: -1.487
local terms energy: -233.186396
where:
bonds (distance) C4'-P energy: -54.641
bonds (distance) P-C4' energy: -63.698
flat angles C4'-P-C4' energy: -53.242
flat angles P-C4'-P energy: -36.412
tors. eta vs tors. theta energy: -25.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -320.981527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.981527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.981527 (E_RNA)
where:
Base-Base interactions energy: -143.365
where: short stacking energy: -109.634
Base-Backbone interact. energy: 2.336
local terms energy: -179.953100
where:
bonds (distance) C4'-P energy: -50.208
bonds (distance) P-C4' energy: -57.769
flat angles C4'-P-C4' energy: -39.614
flat angles P-C4'-P energy: -39.047
tors. eta vs tors. theta energy: 6.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -295.536594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.536594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.536594 (E_RNA)
where:
Base-Base interactions energy: -112.985
where: short stacking energy: -86.821
Base-Backbone interact. energy: -0.662
local terms energy: -182.441850
where:
bonds (distance) C4'-P energy: -50.546
bonds (distance) P-C4' energy: -51.399
flat angles C4'-P-C4' energy: -57.506
flat angles P-C4'-P energy: -27.468
tors. eta vs tors. theta energy: 4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.552 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -273.123084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.123084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.123084 (E_RNA)
where:
Base-Base interactions energy: -100.365
where: short stacking energy: -86.395
Base-Backbone interact. energy: 0.485
local terms energy: -173.243450
where:
bonds (distance) C4'-P energy: -40.722
bonds (distance) P-C4' energy: -56.041
flat angles C4'-P-C4' energy: -63.887
flat angles P-C4'-P energy: -17.653
tors. eta vs tors. theta energy: 5.060
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: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1001.845904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.845904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.845904 (E_RNA)
where:
Base-Base interactions energy: -665.950
where: short stacking energy: -304.129
Base-Backbone interact. energy: -1.833
local terms energy: -334.062762
where:
bonds (distance) C4'-P energy: -67.743
bonds (distance) P-C4' energy: -63.427
flat angles C4'-P-C4' energy: -66.435
flat angles P-C4'-P energy: -46.200
tors. eta vs tors. theta energy: -90.257
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: 2, replica: 8
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -874.875988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.875988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.875988 (E_RNA)
where:
Base-Base interactions energy: -557.203
where: short stacking energy: -287.068
Base-Backbone interact. energy: -0.665
local terms energy: -317.007833
where:
bonds (distance) C4'-P energy: -61.779
bonds (distance) P-C4' energy: -68.265
flat angles C4'-P-C4' energy: -69.686
flat angles P-C4'-P energy: -44.619
tors. eta vs tors. theta energy: -72.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -889.228146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.228146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.228146 (E_RNA)
where:
Base-Base interactions energy: -592.351
where: short stacking energy: -265.835
Base-Backbone interact. energy: 0.582
local terms energy: -297.458682
where:
bonds (distance) C4'-P energy: -60.113
bonds (distance) P-C4' energy: -65.290
flat angles C4'-P-C4' energy: -61.600
flat angles P-C4'-P energy: -36.247
tors. eta vs tors. theta energy: -74.209
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: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -744.184361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.184361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.184361 (E_RNA)
where:
Base-Base interactions energy: -478.525
where: short stacking energy: -240.198
Base-Backbone interact. energy: 0.988
local terms energy: -266.647431
where:
bonds (distance) C4'-P energy: -43.400
bonds (distance) P-C4' energy: -63.365
flat angles C4'-P-C4' energy: -63.478
flat angles P-C4'-P energy: -40.779
tors. eta vs tors. theta energy: -55.625
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: 4
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -718.035609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.035609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.035609 (E_RNA)
where:
Base-Base interactions energy: -430.689
where: short stacking energy: -203.729
Base-Backbone interact. energy: -1.335
local terms energy: -286.011908
where:
bonds (distance) C4'-P energy: -65.536
bonds (distance) P-C4' energy: -59.811
flat angles C4'-P-C4' energy: -66.925
flat angles P-C4'-P energy: -46.518
tors. eta vs tors. theta energy: -47.222
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: 6, replica: 3
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -589.671402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.671402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.671402 (E_RNA)
where:
Base-Base interactions energy: -344.543
where: short stacking energy: -182.298
Base-Backbone interact. energy: 2.241
local terms energy: -247.368609
where:
bonds (distance) C4'-P energy: -56.842
bonds (distance) P-C4' energy: -52.265
flat angles C4'-P-C4' energy: -63.802
flat angles P-C4'-P energy: -41.381
tors. eta vs tors. theta energy: -33.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -444.217229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.217229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.217229 (E_RNA)
where:
Base-Base interactions energy: -210.213
where: short stacking energy: -106.499
Base-Backbone interact. energy: -2.437
local terms energy: -231.567057
where:
bonds (distance) C4'-P energy: -67.288
bonds (distance) P-C4' energy: -56.885
flat angles C4'-P-C4' energy: -64.515
flat angles P-C4'-P energy: -32.812
tors. eta vs tors. theta energy: -10.066
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: 8, replica: 5
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -307.631795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.631795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.631795 (E_RNA)
where:
Base-Base interactions energy: -117.777
where: short stacking energy: -85.939
Base-Backbone interact. energy: -0.485
local terms energy: -189.369834
where:
bonds (distance) C4'-P energy: -49.538
bonds (distance) P-C4' energy: -63.324
flat angles C4'-P-C4' energy: -44.287
flat angles P-C4'-P energy: -34.046
tors. eta vs tors. theta energy: 1.825
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: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -284.262715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.262715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.262715 (E_RNA)
where:
Base-Base interactions energy: -94.981
where: short stacking energy: -75.679
Base-Backbone interact. energy: 4.815
local terms energy: -194.096685
where:
bonds (distance) C4'-P energy: -53.915
bonds (distance) P-C4' energy: -62.226
flat angles C4'-P-C4' energy: -48.528
flat angles P-C4'-P energy: -33.229
tors. eta vs tors. theta energy: 3.801
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: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -289.872969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.872969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.872969 (E_RNA)
where:
Base-Base interactions energy: -108.147
where: short stacking energy: -93.658
Base-Backbone interact. energy: -0.668
local terms energy: -181.057229
where:
bonds (distance) C4'-P energy: -48.950
bonds (distance) P-C4' energy: -63.233
flat angles C4'-P-C4' energy: -44.665
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: -1.106
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: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1022.795193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.795193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.795193 (E_RNA)
where:
Base-Base interactions energy: -671.396
where: short stacking energy: -317.585
Base-Backbone interact. energy: -2.836
local terms energy: -348.563407
where:
bonds (distance) C4'-P energy: -72.303
bonds (distance) P-C4' energy: -62.377
flat angles C4'-P-C4' energy: -72.474
flat angles P-C4'-P energy: -47.512
tors. eta vs tors. theta energy: -93.896
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: 2, replica: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -931.725947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.725947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.725947 (E_RNA)
where:
Base-Base interactions energy: -601.694
where: short stacking energy: -278.736
Base-Backbone interact. energy: -1.463
local terms energy: -328.568594
where:
bonds (distance) C4'-P energy: -64.703
bonds (distance) P-C4' energy: -70.425
flat angles C4'-P-C4' energy: -71.956
flat angles P-C4'-P energy: -43.854
tors. eta vs tors. theta energy: -77.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -886.196638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.196638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.196638 (E_RNA)
where:
Base-Base interactions energy: -551.761
where: short stacking energy: -252.415
Base-Backbone interact. energy: -0.957
local terms energy: -333.478293
where:
bonds (distance) C4'-P energy: -66.387
bonds (distance) P-C4' energy: -66.139
flat angles C4'-P-C4' energy: -72.836
flat angles P-C4'-P energy: -49.386
tors. eta vs tors. theta energy: -78.731
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: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -739.183410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.183410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.183410 (E_RNA)
where:
Base-Base interactions energy: -465.796
where: short stacking energy: -226.097
Base-Backbone interact. energy: -2.061
local terms energy: -271.326508
where:
bonds (distance) C4'-P energy: -59.965
bonds (distance) P-C4' energy: -63.213
flat angles C4'-P-C4' energy: -65.790
flat angles P-C4'-P energy: -35.200
tors. eta vs tors. theta energy: -47.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -686.313352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.313352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.313352 (E_RNA)
where:
Base-Base interactions energy: -425.108
where: short stacking energy: -191.052
Base-Backbone interact. energy: -2.710
local terms energy: -258.495701
where:
bonds (distance) C4'-P energy: -63.398
bonds (distance) P-C4' energy: -55.240
flat angles C4'-P-C4' energy: -53.390
flat angles P-C4'-P energy: -42.112
tors. eta vs tors. theta energy: -44.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -618.331696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.331696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.331696 (E_RNA)
where:
Base-Base interactions energy: -369.793
where: short stacking energy: -196.869
Base-Backbone interact. energy: 0.145
local terms energy: -248.683556
where:
bonds (distance) C4'-P energy: -59.873
bonds (distance) P-C4' energy: -50.924
flat angles C4'-P-C4' energy: -57.296
flat angles P-C4'-P energy: -39.176
tors. eta vs tors. theta energy: -41.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -572.034715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.034715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.034715 (E_RNA)
where:
Base-Base interactions energy: -339.014
where: short stacking energy: -160.520
Base-Backbone interact. energy: -0.150
local terms energy: -232.870962
where:
bonds (distance) C4'-P energy: -52.708
bonds (distance) P-C4' energy: -65.752
flat angles C4'-P-C4' energy: -50.366
flat angles P-C4'-P energy: -33.071
tors. eta vs tors. theta energy: -30.974
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: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -328.002160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.002160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.002160 (E_RNA)
where:
Base-Base interactions energy: -136.836
where: short stacking energy: -82.540
Base-Backbone interact. energy: -2.155
local terms energy: -189.011453
where:
bonds (distance) C4'-P energy: -54.939
bonds (distance) P-C4' energy: -66.762
flat angles C4'-P-C4' energy: -49.964
flat angles P-C4'-P energy: -22.658
tors. eta vs tors. theta energy: 5.311
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: 9, replica: 5
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -268.429999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.429999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.429999 (E_RNA)
where:
Base-Base interactions energy: -84.244
where: short stacking energy: -54.264
Base-Backbone interact. energy: -1.240
local terms energy: -182.945900
where:
bonds (distance) C4'-P energy: -55.751
bonds (distance) P-C4' energy: -45.386
flat angles C4'-P-C4' energy: -49.029
flat angles P-C4'-P energy: -41.657
tors. eta vs tors. theta energy: 8.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -259.433734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.433734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.433734 (E_RNA)
where:
Base-Base interactions energy: -83.243
where: short stacking energy: -56.533
Base-Backbone interact. energy: -0.293
local terms energy: -175.897590
where:
bonds (distance) C4'-P energy: -51.213
bonds (distance) P-C4' energy: -47.498
flat angles C4'-P-C4' energy: -55.392
flat angles P-C4'-P energy: -35.870
tors. eta vs tors. theta energy: 14.076
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: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1015.129715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.129715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.129715 (E_RNA)
where:
Base-Base interactions energy: -676.052
where: short stacking energy: -329.181
Base-Backbone interact. energy: 0.182
local terms energy: -339.260475
where:
bonds (distance) C4'-P energy: -60.865
bonds (distance) P-C4' energy: -68.213
flat angles C4'-P-C4' energy: -69.081
flat angles P-C4'-P energy: -43.505
tors. eta vs tors. theta energy: -97.597
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: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -905.885796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.885796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.885796 (E_RNA)
where:
Base-Base interactions energy: -613.313
where: short stacking energy: -285.706
Base-Backbone interact. energy: 0.719
local terms energy: -293.292259
where:
bonds (distance) C4'-P energy: -63.360
bonds (distance) P-C4' energy: -49.062
flat angles C4'-P-C4' energy: -62.182
flat angles P-C4'-P energy: -46.382
tors. eta vs tors. theta energy: -72.306
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: 3, replica: 8
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -893.483038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.483038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.483038 (E_RNA)
where:
Base-Base interactions energy: -568.010
where: short stacking energy: -274.216
Base-Backbone interact. energy: -2.165
local terms energy: -323.308580
where:
bonds (distance) C4'-P energy: -52.218
bonds (distance) P-C4' energy: -70.630
flat angles C4'-P-C4' energy: -66.635
flat angles P-C4'-P energy: -55.385
tors. eta vs tors. theta energy: -78.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -760.005608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.005608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.005608 (E_RNA)
where:
Base-Base interactions energy: -475.054
where: short stacking energy: -239.088
Base-Backbone interact. energy: -0.086
local terms energy: -284.865897
where:
bonds (distance) C4'-P energy: -58.311
bonds (distance) P-C4' energy: -67.511
flat angles C4'-P-C4' energy: -61.722
flat angles P-C4'-P energy: -41.216
tors. eta vs tors. theta energy: -56.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -710.840509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.840509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.840509 (E_RNA)
where:
Base-Base interactions energy: -453.832
where: short stacking energy: -212.780
Base-Backbone interact. energy: 0.052
local terms energy: -257.061039
where:
bonds (distance) C4'-P energy: -50.348
bonds (distance) P-C4' energy: -56.816
flat angles C4'-P-C4' energy: -53.119
flat angles P-C4'-P energy: -42.575
tors. eta vs tors. theta energy: -54.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -567.043856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.043856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.043856 (E_RNA)
where:
Base-Base interactions energy: -309.897
where: short stacking energy: -173.023
Base-Backbone interact. energy: -1.481
local terms energy: -255.665319
where:
bonds (distance) C4'-P energy: -66.964
bonds (distance) P-C4' energy: -63.660
flat angles C4'-P-C4' energy: -59.593
flat angles P-C4'-P energy: -31.649
tors. eta vs tors. theta energy: -33.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -611.763280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.763280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.763280 (E_RNA)
where:
Base-Base interactions energy: -384.548
where: short stacking energy: -163.936
Base-Backbone interact. energy: -1.141
local terms energy: -226.074648
where:
bonds (distance) C4'-P energy: -52.017
bonds (distance) P-C4' energy: -60.124
flat angles C4'-P-C4' energy: -50.944
flat angles P-C4'-P energy: -38.412
tors. eta vs tors. theta energy: -24.578
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: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -372.367114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.367114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.367114 (E_RNA)
where:
Base-Base interactions energy: -177.006
where: short stacking energy: -114.021
Base-Backbone interact. energy: -1.703
local terms energy: -193.658007
where:
bonds (distance) C4'-P energy: -58.142
bonds (distance) P-C4' energy: -57.746
flat angles C4'-P-C4' energy: -45.604
flat angles P-C4'-P energy: -29.748
tors. eta vs tors. theta energy: -2.417
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: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -298.382541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.382541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.382541 (E_RNA)
where:
Base-Base interactions energy: -103.500
where: short stacking energy: -89.162
Base-Backbone interact. energy: -1.154
local terms energy: -193.728037
where:
bonds (distance) C4'-P energy: -63.820
bonds (distance) P-C4' energy: -54.178
flat angles C4'-P-C4' energy: -49.420
flat angles P-C4'-P energy: -27.785
tors. eta vs tors. theta energy: 1.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -276.375321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.375321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.375321 (E_RNA)
where:
Base-Base interactions energy: -121.684
where: short stacking energy: -82.315
Base-Backbone interact. energy: 0.324
local terms energy: -155.015248
where:
bonds (distance) C4'-P energy: -50.950
bonds (distance) P-C4' energy: -51.446
flat angles C4'-P-C4' energy: -43.570
flat angles P-C4'-P energy: -16.239
tors. eta vs tors. theta energy: 7.189
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: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1001.896562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.896562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.896562 (E_RNA)
where:
Base-Base interactions energy: -664.035
where: short stacking energy: -302.772
Base-Backbone interact. energy: -1.389
local terms energy: -336.471870
where:
bonds (distance) C4'-P energy: -71.906
bonds (distance) P-C4' energy: -63.695
flat angles C4'-P-C4' energy: -72.455
flat angles P-C4'-P energy: -40.106
tors. eta vs tors. theta energy: -88.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -922.099078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.099078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.099078 (E_RNA)
where:
Base-Base interactions energy: -618.423
where: short stacking energy: -274.604
Base-Backbone interact. energy: 0.534
local terms energy: -304.210613
where:
bonds (distance) C4'-P energy: -57.628
bonds (distance) P-C4' energy: -71.284
flat angles C4'-P-C4' energy: -59.238
flat angles P-C4'-P energy: -40.117
tors. eta vs tors. theta energy: -75.944
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: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -882.017188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.017188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.017188 (E_RNA)
where:
Base-Base interactions energy: -571.469
where: short stacking energy: -248.201
Base-Backbone interact. energy: 1.065
local terms energy: -311.613421
where:
bonds (distance) C4'-P energy: -60.086
bonds (distance) P-C4' energy: -66.319
flat angles C4'-P-C4' energy: -72.488
flat angles P-C4'-P energy: -44.189
tors. eta vs tors. theta energy: -68.531
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: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -783.503828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.503828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.503828 (E_RNA)
where:
Base-Base interactions energy: -495.927
where: short stacking energy: -260.506
Base-Backbone interact. energy: 2.059
local terms energy: -289.635539
where:
bonds (distance) C4'-P energy: -65.412
bonds (distance) P-C4' energy: -63.443
flat angles C4'-P-C4' energy: -65.615
flat angles P-C4'-P energy: -36.507
tors. eta vs tors. theta energy: -58.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -679.447710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.447710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.447710 (E_RNA)
where:
Base-Base interactions energy: -420.763
where: short stacking energy: -193.778
Base-Backbone interact. energy: 1.533
local terms energy: -260.217638
where:
bonds (distance) C4'-P energy: -55.464
bonds (distance) P-C4' energy: -63.038
flat angles C4'-P-C4' energy: -56.966
flat angles P-C4'-P energy: -41.402
tors. eta vs tors. theta energy: -43.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -611.956359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.956359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.956359 (E_RNA)
where:
Base-Base interactions energy: -346.609
where: short stacking energy: -160.191
Base-Backbone interact. energy: -2.342
local terms energy: -263.006111
where:
bonds (distance) C4'-P energy: -62.443
bonds (distance) P-C4' energy: -71.235
flat angles C4'-P-C4' energy: -57.397
flat angles P-C4'-P energy: -36.157
tors. eta vs tors. theta energy: -35.774
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: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -502.528028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.528028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.528028 (E_RNA)
where:
Base-Base interactions energy: -293.786
where: short stacking energy: -162.298
Base-Backbone interact. energy: -0.395
local terms energy: -208.346713
where:
bonds (distance) C4'-P energy: -46.009
bonds (distance) P-C4' energy: -48.014
flat angles C4'-P-C4' energy: -56.510
flat angles P-C4'-P energy: -26.324
tors. eta vs tors. theta energy: -31.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -311.789249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.789249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.789249 (E_RNA)
where:
Base-Base interactions energy: -115.014
where: short stacking energy: -91.033
Base-Backbone interact. energy: 1.557
local terms energy: -198.971511
where:
bonds (distance) C4'-P energy: -55.792
bonds (distance) P-C4' energy: -53.440
flat angles C4'-P-C4' energy: -56.030
flat angles P-C4'-P energy: -28.421
tors. eta vs tors. theta energy: -5.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.639 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -329.015121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.015121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.015121 (E_RNA)
where:
Base-Base interactions energy: -160.338
where: short stacking energy: -92.517
Base-Backbone interact. energy: 2.173
local terms energy: -170.849783
where:
bonds (distance) C4'-P energy: -49.575
bonds (distance) P-C4' energy: -54.657
flat angles C4'-P-C4' energy: -44.550
flat angles P-C4'-P energy: -28.815
tors. eta vs tors. theta energy: 6.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -273.319739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.319739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.319739 (E_RNA)
where:
Base-Base interactions energy: -95.513
where: short stacking energy: -84.599
Base-Backbone interact. energy: 3.035
local terms energy: -180.842256
where:
bonds (distance) C4'-P energy: -49.912
bonds (distance) P-C4' energy: -60.570
flat angles C4'-P-C4' energy: -42.628
flat angles P-C4'-P energy: -25.523
tors. eta vs tors. theta energy: -2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -992.606338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.606338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.606338 (E_RNA)
where:
Base-Base interactions energy: -649.971
where: short stacking energy: -289.756
Base-Backbone interact. energy: -2.554
local terms energy: -340.080924
where:
bonds (distance) C4'-P energy: -63.442
bonds (distance) P-C4' energy: -63.447
flat angles C4'-P-C4' energy: -72.701
flat angles P-C4'-P energy: -49.439
tors. eta vs tors. theta energy: -91.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -907.791203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.791203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.791203 (E_RNA)
where:
Base-Base interactions energy: -602.016
where: short stacking energy: -260.445
Base-Backbone interact. energy: -1.399
local terms energy: -304.377025
where:
bonds (distance) C4'-P energy: -61.475
bonds (distance) P-C4' energy: -61.149
flat angles C4'-P-C4' energy: -68.014
flat angles P-C4'-P energy: -40.688
tors. eta vs tors. theta energy: -73.051
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: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -867.015333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.015333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.015333 (E_RNA)
where:
Base-Base interactions energy: -574.756
where: short stacking energy: -260.263
Base-Backbone interact. energy: 4.532
local terms energy: -296.790759
where:
bonds (distance) C4'-P energy: -53.769
bonds (distance) P-C4' energy: -60.110
flat angles C4'-P-C4' energy: -77.227
flat angles P-C4'-P energy: -36.630
tors. eta vs tors. theta energy: -69.055
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: 4, replica: 1
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -763.398289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.398289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.398289 (E_RNA)
where:
Base-Base interactions energy: -476.155
where: short stacking energy: -226.807
Base-Backbone interact. energy: -0.780
local terms energy: -286.463739
where:
bonds (distance) C4'-P energy: -62.894
bonds (distance) P-C4' energy: -63.017
flat angles C4'-P-C4' energy: -61.937
flat angles P-C4'-P energy: -44.135
tors. eta vs tors. theta energy: -54.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -688.922005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.922005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.922005 (E_RNA)
where:
Base-Base interactions energy: -424.123
where: short stacking energy: -199.857
Base-Backbone interact. energy: -1.215
local terms energy: -263.583486
where:
bonds (distance) C4'-P energy: -58.438
bonds (distance) P-C4' energy: -64.621
flat angles C4'-P-C4' energy: -56.253
flat angles P-C4'-P energy: -42.694
tors. eta vs tors. theta energy: -41.577
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: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -653.491060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.491060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.491060 (E_RNA)
where:
Base-Base interactions energy: -401.040
where: short stacking energy: -200.756
Base-Backbone interact. energy: -0.925
local terms energy: -251.526705
where:
bonds (distance) C4'-P energy: -56.409
bonds (distance) P-C4' energy: -53.864
flat angles C4'-P-C4' energy: -58.404
flat angles P-C4'-P energy: -38.712
tors. eta vs tors. theta energy: -44.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -465.688115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.688115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.688115 (E_RNA)
where:
Base-Base interactions energy: -251.883
where: short stacking energy: -144.073
Base-Backbone interact. energy: 2.074
local terms energy: -215.878857
where:
bonds (distance) C4'-P energy: -49.837
bonds (distance) P-C4' energy: -61.866
flat angles C4'-P-C4' energy: -43.493
flat angles P-C4'-P energy: -37.698
tors. eta vs tors. theta energy: -22.985
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: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -298.306171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.306171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.306171 (E_RNA)
where:
Base-Base interactions energy: -91.544
where: short stacking energy: -81.246
Base-Backbone interact. energy: 0.629
local terms energy: -207.391144
where:
bonds (distance) C4'-P energy: -60.546
bonds (distance) P-C4' energy: -66.424
flat angles C4'-P-C4' energy: -49.645
flat angles P-C4'-P energy: -26.520
tors. eta vs tors. theta energy: -4.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -348.315546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.315546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.315546 (E_RNA)
where:
Base-Base interactions energy: -155.941
where: short stacking energy: -91.291
Base-Backbone interact. energy: -0.997
local terms energy: -191.378467
where:
bonds (distance) C4'-P energy: -40.358
bonds (distance) P-C4' energy: -62.482
flat angles C4'-P-C4' energy: -48.672
flat angles P-C4'-P energy: -29.273
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: 10, replica: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -279.921264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.921264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.921264 (E_RNA)
where:
Base-Base interactions energy: -111.623
where: short stacking energy: -89.154
Base-Backbone interact. energy: 0.092
local terms energy: -168.390231
where:
bonds (distance) C4'-P energy: -54.168
bonds (distance) P-C4' energy: -58.587
flat angles C4'-P-C4' energy: -39.060
flat angles P-C4'-P energy: -29.030
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: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1033.345042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.345042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.345042 (E_RNA)
where:
Base-Base interactions energy: -685.501
where: short stacking energy: -315.054
Base-Backbone interact. energy: -1.030
local terms energy: -346.814359
where:
bonds (distance) C4'-P energy: -73.269
bonds (distance) P-C4' energy: -68.299
flat angles C4'-P-C4' energy: -67.724
flat angles P-C4'-P energy: -52.326
tors. eta vs tors. theta energy: -85.196
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: 2, replica: 8
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -921.980395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.980395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.980395 (E_RNA)
where:
Base-Base interactions energy: -602.542
where: short stacking energy: -283.937
Base-Backbone interact. energy: 0.103
local terms energy: -319.541383
where:
bonds (distance) C4'-P energy: -65.782
bonds (distance) P-C4' energy: -68.036
flat angles C4'-P-C4' energy: -71.026
flat angles P-C4'-P energy: -40.389
tors. eta vs tors. theta energy: -74.308
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: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -870.219355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.219355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.219355 (E_RNA)
where:
Base-Base interactions energy: -558.983
where: short stacking energy: -274.925
Base-Backbone interact. energy: -0.911
local terms energy: -310.326074
where:
bonds (distance) C4'-P energy: -62.714
bonds (distance) P-C4' energy: -62.540
flat angles C4'-P-C4' energy: -69.339
flat angles P-C4'-P energy: -41.942
tors. eta vs tors. theta energy: -73.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -804.268246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.268246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.268246 (E_RNA)
where:
Base-Base interactions energy: -514.903
where: short stacking energy: -238.691
Base-Backbone interact. energy: -0.722
local terms energy: -288.643789
where:
bonds (distance) C4'-P energy: -58.575
bonds (distance) P-C4' energy: -64.488
flat angles C4'-P-C4' energy: -61.297
flat angles P-C4'-P energy: -46.106
tors. eta vs tors. theta energy: -58.178
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: 4
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -674.391047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.391047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.391047 (E_RNA)
where:
Base-Base interactions energy: -408.997
where: short stacking energy: -181.673
Base-Backbone interact. energy: -1.098
local terms energy: -264.296141
where:
bonds (distance) C4'-P energy: -56.138
bonds (distance) P-C4' energy: -63.451
flat angles C4'-P-C4' energy: -66.364
flat angles P-C4'-P energy: -38.255
tors. eta vs tors. theta energy: -40.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -594.406616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.406616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.406616 (E_RNA)
where:
Base-Base interactions energy: -348.093
where: short stacking energy: -177.694
Base-Backbone interact. energy: -1.620
local terms energy: -244.693847
where:
bonds (distance) C4'-P energy: -54.924
bonds (distance) P-C4' energy: -63.894
flat angles C4'-P-C4' energy: -53.226
flat angles P-C4'-P energy: -37.308
tors. eta vs tors. theta energy: -35.341
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: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -484.040903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.040903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.040903 (E_RNA)
where:
Base-Base interactions energy: -246.372
where: short stacking energy: -146.308
Base-Backbone interact. energy: -1.877
local terms energy: -235.792684
where:
bonds (distance) C4'-P energy: -60.717
bonds (distance) P-C4' energy: -66.235
flat angles C4'-P-C4' energy: -61.201
flat angles P-C4'-P energy: -29.571
tors. eta vs tors. theta energy: -18.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -321.013649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.013649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.013649 (E_RNA)
where:
Base-Base interactions energy: -116.877
where: short stacking energy: -88.456
Base-Backbone interact. energy: -0.640
local terms energy: -203.495937
where:
bonds (distance) C4'-P energy: -58.338
bonds (distance) P-C4' energy: -59.510
flat angles C4'-P-C4' energy: -55.787
flat angles P-C4'-P energy: -38.597
tors. eta vs tors. theta energy: 8.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -291.073478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.073478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.073478 (E_RNA)
where:
Base-Base interactions energy: -91.829
where: short stacking energy: -83.740
Base-Backbone interact. energy: -1.386
local terms energy: -197.858298
where:
bonds (distance) C4'-P energy: -52.199
bonds (distance) P-C4' energy: -58.614
flat angles C4'-P-C4' energy: -54.038
flat angles P-C4'-P energy: -33.807
tors. eta vs tors. theta energy: 0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -285.361994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.361994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.361994 (E_RNA)
where:
Base-Base interactions energy: -99.765
where: short stacking energy: -91.427
Base-Backbone interact. energy: -0.981
local terms energy: -184.616721
where:
bonds (distance) C4'-P energy: -47.846
bonds (distance) P-C4' energy: -62.315
flat angles C4'-P-C4' energy: -51.453
flat angles P-C4'-P energy: -21.242
tors. eta vs tors. theta energy: -1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1032.343870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.343870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.343870 (E_RNA)
where:
Base-Base interactions energy: -680.566
where: short stacking energy: -324.438
Base-Backbone interact. energy: -2.151
local terms energy: -349.627348
where:
bonds (distance) C4'-P energy: -59.451
bonds (distance) P-C4' energy: -67.733
flat angles C4'-P-C4' energy: -75.562
flat angles P-C4'-P energy: -50.923
tors. eta vs tors. theta energy: -95.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -903.790379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.790379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.790379 (E_RNA)
where:
Base-Base interactions energy: -602.471
where: short stacking energy: -283.324
Base-Backbone interact. energy: -1.105
local terms energy: -300.213717
where:
bonds (distance) C4'-P energy: -51.201
bonds (distance) P-C4' energy: -65.624
flat angles C4'-P-C4' energy: -64.084
flat angles P-C4'-P energy: -54.503
tors. eta vs tors. theta energy: -64.802
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: 1
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -858.435092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.435092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.435092 (E_RNA)
where:
Base-Base interactions energy: -560.950
where: short stacking energy: -254.946
Base-Backbone interact. energy: 0.988
local terms energy: -298.473281
where:
bonds (distance) C4'-P energy: -56.093
bonds (distance) P-C4' energy: -66.753
flat angles C4'-P-C4' energy: -66.301
flat angles P-C4'-P energy: -44.234
tors. eta vs tors. theta energy: -65.092
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: 7
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -827.427516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.427516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.427516 (E_RNA)
where:
Base-Base interactions energy: -537.597
where: short stacking energy: -232.326
Base-Backbone interact. energy: -1.207
local terms energy: -288.623586
where:
bonds (distance) C4'-P energy: -66.561
bonds (distance) P-C4' energy: -61.049
flat angles C4'-P-C4' energy: -58.878
flat angles P-C4'-P energy: -37.908
tors. eta vs tors. theta energy: -64.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -628.559044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.559044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.559044 (E_RNA)
where:
Base-Base interactions energy: -404.302
where: short stacking energy: -211.612
Base-Backbone interact. energy: -0.546
local terms energy: -223.710795
where:
bonds (distance) C4'-P energy: -50.544
bonds (distance) P-C4' energy: -47.012
flat angles C4'-P-C4' energy: -40.835
flat angles P-C4'-P energy: -42.741
tors. eta vs tors. theta energy: -42.579
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: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -599.758661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.758661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.758661 (E_RNA)
where:
Base-Base interactions energy: -349.651
where: short stacking energy: -172.420
Base-Backbone interact. energy: -1.197
local terms energy: -248.911253
where:
bonds (distance) C4'-P energy: -61.491
bonds (distance) P-C4' energy: -61.386
flat angles C4'-P-C4' energy: -54.699
flat angles P-C4'-P energy: -37.611
tors. eta vs tors. theta energy: -33.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -487.968525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.968525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.968525 (E_RNA)
where:
Base-Base interactions energy: -275.854
where: short stacking energy: -155.673
Base-Backbone interact. energy: 4.144
local terms energy: -216.258674
where:
bonds (distance) C4'-P energy: -47.722
bonds (distance) P-C4' energy: -58.296
flat angles C4'-P-C4' energy: -52.150
flat angles P-C4'-P energy: -36.678
tors. eta vs tors. theta energy: -21.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -320.082804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.082804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.082804 (E_RNA)
where:
Base-Base interactions energy: -122.749
where: short stacking energy: -101.545
Base-Backbone interact. energy: 3.825
local terms energy: -201.158801
where:
bonds (distance) C4'-P energy: -67.754
bonds (distance) P-C4' energy: -49.114
flat angles C4'-P-C4' energy: -45.398
flat angles P-C4'-P energy: -36.460
tors. eta vs tors. theta energy: -2.433
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: 5
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -285.196916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.196916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.196916 (E_RNA)
where:
Base-Base interactions energy: -117.723
where: short stacking energy: -94.324
Base-Backbone interact. energy: -0.724
local terms energy: -166.750470
where:
bonds (distance) C4'-P energy: -48.203
bonds (distance) P-C4' energy: -53.507
flat angles C4'-P-C4' energy: -46.364
flat angles P-C4'-P energy: -24.563
tors. eta vs tors. theta energy: 5.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -266.793818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.793818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.793818 (E_RNA)
where:
Base-Base interactions energy: -89.424
where: short stacking energy: -78.630
Base-Backbone interact. energy: 1.159
local terms energy: -178.528708
where:
bonds (distance) C4'-P energy: -59.457
bonds (distance) P-C4' energy: -45.243
flat angles C4'-P-C4' energy: -40.336
flat angles P-C4'-P energy: -36.346
tors. eta vs tors. theta energy: 2.853
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: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1031.983541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.983541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.983541 (E_RNA)
where:
Base-Base interactions energy: -686.162
where: short stacking energy: -322.521
Base-Backbone interact. energy: -2.769
local terms energy: -343.052173
where:
bonds (distance) C4'-P energy: -58.635
bonds (distance) P-C4' energy: -60.520
flat angles C4'-P-C4' energy: -75.028
flat angles P-C4'-P energy: -50.457
tors. eta vs tors. theta energy: -98.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -899.083379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.083379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.083379 (E_RNA)
where:
Base-Base interactions energy: -591.064
where: short stacking energy: -261.267
Base-Backbone interact. energy: 0.380
local terms energy: -308.399849
where:
bonds (distance) C4'-P energy: -64.789
bonds (distance) P-C4' energy: -64.381
flat angles C4'-P-C4' energy: -66.459
flat angles P-C4'-P energy: -47.810
tors. eta vs tors. theta energy: -64.960
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: 1
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -869.149649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.149649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.149649 (E_RNA)
where:
Base-Base interactions energy: -557.081
where: short stacking energy: -265.630
Base-Backbone interact. energy: -0.686
local terms energy: -311.382762
where:
bonds (distance) C4'-P energy: -56.483
bonds (distance) P-C4' energy: -62.453
flat angles C4'-P-C4' energy: -64.997
flat angles P-C4'-P energy: -53.465
tors. eta vs tors. theta energy: -73.984
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: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -831.309862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.309862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.309862 (E_RNA)
where:
Base-Base interactions energy: -554.526
where: short stacking energy: -239.668
Base-Backbone interact. energy: -2.047
local terms energy: -274.854068
where:
bonds (distance) C4'-P energy: -53.648
bonds (distance) P-C4' energy: -59.370
flat angles C4'-P-C4' energy: -60.722
flat angles P-C4'-P energy: -36.841
tors. eta vs tors. theta energy: -64.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.117 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -689.077672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.077672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.077672 (E_RNA)
where:
Base-Base interactions energy: -425.275
where: short stacking energy: -178.551
Base-Backbone interact. energy: 3.419
local terms energy: -267.221761
where:
bonds (distance) C4'-P energy: -58.002
bonds (distance) P-C4' energy: -67.948
flat angles C4'-P-C4' energy: -56.298
flat angles P-C4'-P energy: -46.647
tors. eta vs tors. theta energy: -38.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -653.381829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.381829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.381829 (E_RNA)
where:
Base-Base interactions energy: -405.702
where: short stacking energy: -189.418
Base-Backbone interact. energy: 0.790
local terms energy: -248.470155
where:
bonds (distance) C4'-P energy: -59.044
bonds (distance) P-C4' energy: -56.801
flat angles C4'-P-C4' energy: -59.912
flat angles P-C4'-P energy: -36.772
tors. eta vs tors. theta energy: -35.942
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: 47
Temperature: 1.200000
Total energy: -465.608590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.608590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.608590 (E_RNA)
where:
Base-Base interactions energy: -283.183
where: short stacking energy: -148.434
Base-Backbone interact. energy: -1.640
local terms energy: -180.784805
where:
bonds (distance) C4'-P energy: -48.354
bonds (distance) P-C4' energy: -52.534
flat angles C4'-P-C4' energy: -44.368
flat angles P-C4'-P energy: -22.579
tors. eta vs tors. theta energy: -12.949
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: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -334.198556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.198556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.198556 (E_RNA)
where:
Base-Base interactions energy: -121.531
where: short stacking energy: -100.874
Base-Backbone interact. energy: 2.186
local terms energy: -215.344367
where:
bonds (distance) C4'-P energy: -55.745
bonds (distance) P-C4' energy: -63.820
flat angles C4'-P-C4' energy: -61.365
flat angles P-C4'-P energy: -29.901
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.490 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -304.298983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.298983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.298983 (E_RNA)
where:
Base-Base interactions energy: -120.379
where: short stacking energy: -81.232
Base-Backbone interact. energy: -0.856
local terms energy: -183.064383
where:
bonds (distance) C4'-P energy: -53.984
bonds (distance) P-C4' energy: -50.805
flat angles C4'-P-C4' energy: -51.766
flat angles P-C4'-P energy: -30.060
tors. eta vs tors. theta energy: 3.551
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: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -262.619754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.619754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.619754 (E_RNA)
where:
Base-Base interactions energy: -106.196
where: short stacking energy: -86.001
Base-Backbone interact. energy: -1.278
local terms energy: -155.145910
where:
bonds (distance) C4'-P energy: -41.912
bonds (distance) P-C4' energy: -54.799
flat angles C4'-P-C4' energy: -45.269
flat angles P-C4'-P energy: -23.441
tors. eta vs tors. theta energy: 10.275
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: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1025.592533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.592533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.592533 (E_RNA)
where:
Base-Base interactions energy: -667.248
where: short stacking energy: -316.938
Base-Backbone interact. energy: -0.271
local terms energy: -358.073465
where:
bonds (distance) C4'-P energy: -62.232
bonds (distance) P-C4' energy: -72.519
flat angles C4'-P-C4' energy: -78.112
flat angles P-C4'-P energy: -47.686
tors. eta vs tors. theta energy: -97.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -915.306573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.306573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.306573 (E_RNA)
where:
Base-Base interactions energy: -586.996
where: short stacking energy: -265.668
Base-Backbone interact. energy: -2.339
local terms energy: -325.971713
where:
bonds (distance) C4'-P energy: -59.593
bonds (distance) P-C4' energy: -67.899
flat angles C4'-P-C4' energy: -74.242
flat angles P-C4'-P energy: -44.925
tors. eta vs tors. theta energy: -79.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -906.310922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.310922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.310922 (E_RNA)
where:
Base-Base interactions energy: -595.063
where: short stacking energy: -287.731
Base-Backbone interact. energy: 0.167
local terms energy: -311.414378
where:
bonds (distance) C4'-P energy: -70.065
bonds (distance) P-C4' energy: -63.775
flat angles C4'-P-C4' energy: -60.714
flat angles P-C4'-P energy: -35.073
tors. eta vs tors. theta energy: -81.788
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: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -837.169924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.169924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.169924 (E_RNA)
where:
Base-Base interactions energy: -545.341
where: short stacking energy: -255.654
Base-Backbone interact. energy: -3.840
local terms energy: -287.988441
where:
bonds (distance) C4'-P energy: -52.345
bonds (distance) P-C4' energy: -56.136
flat angles C4'-P-C4' energy: -73.649
flat angles P-C4'-P energy: -40.190
tors. eta vs tors. theta energy: -65.668
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: 5, replica: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -684.899335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.899335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.899335 (E_RNA)
where:
Base-Base interactions energy: -413.804
where: short stacking energy: -194.680
Base-Backbone interact. energy: -0.115
local terms energy: -270.979801
where:
bonds (distance) C4'-P energy: -55.966
bonds (distance) P-C4' energy: -68.331
flat angles C4'-P-C4' energy: -55.123
flat angles P-C4'-P energy: -40.950
tors. eta vs tors. theta energy: -50.610
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: 48
Temperature: 1.150000
Total energy: -653.074928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.074928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.074928 (E_RNA)
where:
Base-Base interactions energy: -394.783
where: short stacking energy: -199.860
Base-Backbone interact. energy: -0.388
local terms energy: -257.904322
where:
bonds (distance) C4'-P energy: -69.299
bonds (distance) P-C4' energy: -52.181
flat angles C4'-P-C4' energy: -53.487
flat angles P-C4'-P energy: -32.898
tors. eta vs tors. theta energy: -50.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -521.399975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.399975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.399975 (E_RNA)
where:
Base-Base interactions energy: -265.019
where: short stacking energy: -156.866
Base-Backbone interact. energy: 0.961
local terms energy: -257.341395
where:
bonds (distance) C4'-P energy: -63.719
bonds (distance) P-C4' energy: -62.339
flat angles C4'-P-C4' energy: -64.308
flat angles P-C4'-P energy: -34.912
tors. eta vs tors. theta energy: -32.063
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: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -296.495384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.495384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.495384 (E_RNA)
where:
Base-Base interactions energy: -100.418
where: short stacking energy: -96.753
Base-Backbone interact. energy: -0.064
local terms energy: -196.012683
where:
bonds (distance) C4'-P energy: -47.546
bonds (distance) P-C4' energy: -59.419
flat angles C4'-P-C4' energy: -40.642
flat angles P-C4'-P energy: -38.589
tors. eta vs tors. theta energy: -9.817
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: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -279.274443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.274443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.274443 (E_RNA)
where:
Base-Base interactions energy: -88.044
where: short stacking energy: -63.116
Base-Backbone interact. energy: -2.026
local terms energy: -191.951072
where:
bonds (distance) C4'-P energy: -68.059
bonds (distance) P-C4' energy: -59.540
flat angles C4'-P-C4' energy: -49.035
flat angles P-C4'-P energy: -28.459
tors. eta vs tors. theta energy: 13.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.747 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -272.003690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.003690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.003690 (E_RNA)
where:
Base-Base interactions energy: -77.962
where: short stacking energy: -72.807
Base-Backbone interact. energy: -3.110
local terms energy: -190.932097
where:
bonds (distance) C4'-P energy: -48.874
bonds (distance) P-C4' energy: -58.289
flat angles C4'-P-C4' energy: -50.721
flat angles P-C4'-P energy: -34.053
tors. eta vs tors. theta energy: 1.005
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: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1020.235141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.235141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.235141 (E_RNA)
where:
Base-Base interactions energy: -678.013
where: short stacking energy: -324.349
Base-Backbone interact. energy: -2.431
local terms energy: -339.791423
where:
bonds (distance) C4'-P energy: -65.144
bonds (distance) P-C4' energy: -58.404
flat angles C4'-P-C4' energy: -73.196
flat angles P-C4'-P energy: -51.074
tors. eta vs tors. theta energy: -91.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -911.463998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.463998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.463998 (E_RNA)
where:
Base-Base interactions energy: -598.509
where: short stacking energy: -283.685
Base-Backbone interact. energy: -0.985
local terms energy: -311.969467
where:
bonds (distance) C4'-P energy: -67.292
bonds (distance) P-C4' energy: -65.782
flat angles C4'-P-C4' energy: -61.422
flat angles P-C4'-P energy: -42.770
tors. eta vs tors. theta energy: -74.703
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: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -899.906936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.906936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.906936 (E_RNA)
where:
Base-Base interactions energy: -588.266
where: short stacking energy: -287.262
Base-Backbone interact. energy: -0.788
local terms energy: -310.853594
where:
bonds (distance) C4'-P energy: -56.431
bonds (distance) P-C4' energy: -68.311
flat angles C4'-P-C4' energy: -70.703
flat angles P-C4'-P energy: -39.009
tors. eta vs tors. theta energy: -76.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -836.755208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.755208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.755208 (E_RNA)
where:
Base-Base interactions energy: -538.150
where: short stacking energy: -258.591
Base-Backbone interact. energy: 1.034
local terms energy: -299.639019
where:
bonds (distance) C4'-P energy: -47.082
bonds (distance) P-C4' energy: -67.420
flat angles C4'-P-C4' energy: -71.261
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: -69.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -672.720225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.720225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.720225 (E_RNA)
where:
Base-Base interactions energy: -410.501
where: short stacking energy: -191.691
Base-Backbone interact. energy: -1.665
local terms energy: -260.554407
where:
bonds (distance) C4'-P energy: -54.497
bonds (distance) P-C4' energy: -63.491
flat angles C4'-P-C4' energy: -62.298
flat angles P-C4'-P energy: -41.549
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: 6, replica: 4
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -643.873211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.873211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.873211 (E_RNA)
where:
Base-Base interactions energy: -399.062
where: short stacking energy: -202.355
Base-Backbone interact. energy: -0.431
local terms energy: -244.737088
where:
bonds (distance) C4'-P energy: -45.669
bonds (distance) P-C4' energy: -54.955
flat angles C4'-P-C4' energy: -57.750
flat angles P-C4'-P energy: -36.076
tors. eta vs tors. theta energy: -50.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.357 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -491.571360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.571360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.571360 (E_RNA)
where:
Base-Base interactions energy: -259.795
where: short stacking energy: -157.345
Base-Backbone interact. energy: 0.998
local terms energy: -232.774657
where:
bonds (distance) C4'-P energy: -52.546
bonds (distance) P-C4' energy: -66.498
flat angles C4'-P-C4' energy: -55.294
flat angles P-C4'-P energy: -34.911
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: 8, replica: 10
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -359.523913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.523913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.523913 (E_RNA)
where:
Base-Base interactions energy: -142.366
where: short stacking energy: -126.399
Base-Backbone interact. energy: -0.290
local terms energy: -216.867130
where:
bonds (distance) C4'-P energy: -56.415
bonds (distance) P-C4' energy: -61.619
flat angles C4'-P-C4' energy: -40.444
flat angles P-C4'-P energy: -39.893
tors. eta vs tors. theta energy: -18.497
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: 9, replica: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -318.211861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.211861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.211861 (E_RNA)
where:
Base-Base interactions energy: -117.194
where: short stacking energy: -83.453
Base-Backbone interact. energy: -0.853
local terms energy: -201.970258
where:
bonds (distance) C4'-P energy: -65.027
bonds (distance) P-C4' energy: -47.219
flat angles C4'-P-C4' energy: -59.500
flat angles P-C4'-P energy: -28.929
tors. eta vs tors. theta energy: -1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.805 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -267.052863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.052863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.052863 (E_RNA)
where:
Base-Base interactions energy: -106.994
where: short stacking energy: -89.295
Base-Backbone interact. energy: 2.019
local terms energy: -162.078466
where:
bonds (distance) C4'-P energy: -45.720
bonds (distance) P-C4' energy: -50.074
flat angles C4'-P-C4' energy: -53.519
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: 3.956
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: 50
Temperature: 0.900000
Total energy: -1003.730316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.730316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.730316 (E_RNA)
where:
Base-Base interactions energy: -677.568
where: short stacking energy: -304.771
Base-Backbone interact. energy: -3.371
local terms energy: -322.791142
where:
bonds (distance) C4'-P energy: -60.979
bonds (distance) P-C4' energy: -67.112
flat angles C4'-P-C4' energy: -71.366
flat angles P-C4'-P energy: -46.132
tors. eta vs tors. theta energy: -77.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -897.629088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.629088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.629088 (E_RNA)
where:
Base-Base interactions energy: -596.143
where: short stacking energy: -260.511
Base-Backbone interact. energy: -4.867
local terms energy: -296.619384
where:
bonds (distance) C4'-P energy: -51.799
bonds (distance) P-C4' energy: -60.612
flat angles C4'-P-C4' energy: -69.028
flat angles P-C4'-P energy: -45.255
tors. eta vs tors. theta energy: -69.925
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: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -873.052021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.052021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.052021 (E_RNA)
where:
Base-Base interactions energy: -544.287
where: short stacking energy: -276.223
Base-Backbone interact. energy: -1.838
local terms energy: -326.926842
where:
bonds (distance) C4'-P energy: -67.135
bonds (distance) P-C4' energy: -69.957
flat angles C4'-P-C4' energy: -73.359
flat angles P-C4'-P energy: -44.073
tors. eta vs tors. theta energy: -72.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -835.342086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.342086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.342086 (E_RNA)
where:
Base-Base interactions energy: -521.568
where: short stacking energy: -251.386
Base-Backbone interact. energy: 1.090
local terms energy: -314.863802
where:
bonds (distance) C4'-P energy: -59.283
bonds (distance) P-C4' energy: -72.440
flat angles C4'-P-C4' energy: -73.188
flat angles P-C4'-P energy: -34.399
tors. eta vs tors. theta energy: -75.554
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: 4
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -675.470166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.470166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.470166 (E_RNA)
where:
Base-Base interactions energy: -416.660
where: short stacking energy: -207.911
Base-Backbone interact. energy: -1.414
local terms energy: -257.396343
where:
bonds (distance) C4'-P energy: -54.215
bonds (distance) P-C4' energy: -54.685
flat angles C4'-P-C4' energy: -56.117
flat angles P-C4'-P energy: -45.594
tors. eta vs tors. theta energy: -46.785
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: 6, replica: 9
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -655.843908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.843908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.843908 (E_RNA)
where:
Base-Base interactions energy: -402.452
where: short stacking energy: -190.790
Base-Backbone interact. energy: -0.031
local terms energy: -253.361414
where:
bonds (distance) C4'-P energy: -58.192
bonds (distance) P-C4' energy: -55.028
flat angles C4'-P-C4' energy: -60.014
flat angles P-C4'-P energy: -40.930
tors. eta vs tors. theta energy: -39.197
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: 7, replica: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -434.843828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.843828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.843828 (E_RNA)
where:
Base-Base interactions energy: -233.839
where: short stacking energy: -135.860
Base-Backbone interact. energy: 5.906
local terms energy: -206.911126
where:
bonds (distance) C4'-P energy: -46.445
bonds (distance) P-C4' energy: -59.684
flat angles C4'-P-C4' energy: -53.004
flat angles P-C4'-P energy: -34.428
tors. eta vs tors. theta energy: -13.350
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: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -349.231145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.231145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.231145 (E_RNA)
where:
Base-Base interactions energy: -149.872
where: short stacking energy: -88.990
Base-Backbone interact. energy: -1.884
local terms energy: -197.518208
where:
bonds (distance) C4'-P energy: -62.084
bonds (distance) P-C4' energy: -60.063
flat angles C4'-P-C4' energy: -44.565
flat angles P-C4'-P energy: -32.508
tors. eta vs tors. theta energy: 1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.043 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -284.484586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.484586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.484586 (E_RNA)
where:
Base-Base interactions energy: -119.958
where: short stacking energy: -97.264
Base-Backbone interact. energy: 0.458
local terms energy: -164.984887
where:
bonds (distance) C4'-P energy: -46.840
bonds (distance) P-C4' energy: -46.628
flat angles C4'-P-C4' energy: -44.831
flat angles P-C4'-P energy: -23.206
tors. eta vs tors. theta energy: -3.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -260.122413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.122413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.122413 (E_RNA)
where:
Base-Base interactions energy: -102.043
where: short stacking energy: -89.361
Base-Backbone interact. energy: 0.443
local terms energy: -158.522579
where:
bonds (distance) C4'-P energy: -43.930
bonds (distance) P-C4' energy: -46.827
flat angles C4'-P-C4' energy: -46.096
flat angles P-C4'-P energy: -29.644
tors. eta vs tors. theta energy: 7.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -998.635173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.635173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.635173 (E_RNA)
where:
Base-Base interactions energy: -661.328
where: short stacking energy: -315.421
Base-Backbone interact. energy: -1.308
local terms energy: -335.999068
where:
bonds (distance) C4'-P energy: -58.876
bonds (distance) P-C4' energy: -73.756
flat angles C4'-P-C4' energy: -61.360
flat angles P-C4'-P energy: -47.970
tors. eta vs tors. theta energy: -94.037
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: 2, replica: 8
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -896.474622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.474622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.474622 (E_RNA)
where:
Base-Base interactions energy: -601.968
where: short stacking energy: -268.328
Base-Backbone interact. energy: -2.146
local terms energy: -292.361201
where:
bonds (distance) C4'-P energy: -54.168
bonds (distance) P-C4' energy: -57.972
flat angles C4'-P-C4' energy: -73.693
flat angles P-C4'-P energy: -38.212
tors. eta vs tors. theta energy: -68.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -891.837366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.837366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.837366 (E_RNA)
where:
Base-Base interactions energy: -595.582
where: short stacking energy: -294.395
Base-Backbone interact. energy: -0.445
local terms energy: -295.810520
where:
bonds (distance) C4'-P energy: -51.490
bonds (distance) P-C4' energy: -53.320
flat angles C4'-P-C4' energy: -69.449
flat angles P-C4'-P energy: -48.545
tors. eta vs tors. theta energy: -73.007
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: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -845.225017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.225017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.225017 (E_RNA)
where:
Base-Base interactions energy: -545.243
where: short stacking energy: -256.895
Base-Backbone interact. energy: -0.495
local terms energy: -299.486580
where:
bonds (distance) C4'-P energy: -52.377
bonds (distance) P-C4' energy: -70.149
flat angles C4'-P-C4' energy: -69.480
flat angles P-C4'-P energy: -46.092
tors. eta vs tors. theta energy: -61.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -702.404199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.404199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.404199 (E_RNA)
where:
Base-Base interactions energy: -437.601
where: short stacking energy: -207.075
Base-Backbone interact. energy: -0.206
local terms energy: -264.597338
where:
bonds (distance) C4'-P energy: -52.610
bonds (distance) P-C4' energy: -69.870
flat angles C4'-P-C4' energy: -52.608
flat angles P-C4'-P energy: -48.962
tors. eta vs tors. theta energy: -40.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -713.235071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.235071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.235071 (E_RNA)
where:
Base-Base interactions energy: -457.977
where: short stacking energy: -215.541
Base-Backbone interact. energy: -1.662
local terms energy: -253.596296
where:
bonds (distance) C4'-P energy: -50.682
bonds (distance) P-C4' energy: -54.511
flat angles C4'-P-C4' energy: -53.546
flat angles P-C4'-P energy: -31.545
tors. eta vs tors. theta energy: -63.311
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: 51
Temperature: 1.200000
Total energy: -442.482887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.482887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.482887 (E_RNA)
where:
Base-Base interactions energy: -231.800
where: short stacking energy: -146.774
Base-Backbone interact. energy: 4.972
local terms energy: -215.655234
where:
bonds (distance) C4'-P energy: -49.990
bonds (distance) P-C4' energy: -55.649
flat angles C4'-P-C4' energy: -63.980
flat angles P-C4'-P energy: -20.809
tors. eta vs tors. theta energy: -25.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -338.689143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.689143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.689143 (E_RNA)
where:
Base-Base interactions energy: -161.513
where: short stacking energy: -96.074
Base-Backbone interact. energy: -3.162
local terms energy: -174.014523
where:
bonds (distance) C4'-P energy: -41.756
bonds (distance) P-C4' energy: -57.847
flat angles C4'-P-C4' energy: -45.096
flat angles P-C4'-P energy: -30.804
tors. eta vs tors. theta energy: 1.488
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: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -316.291683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.291683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.291683 (E_RNA)
where:
Base-Base interactions energy: -122.073
where: short stacking energy: -101.777
Base-Backbone interact. energy: 0.383
local terms energy: -194.601420
where:
bonds (distance) C4'-P energy: -51.033
bonds (distance) P-C4' energy: -55.202
flat angles C4'-P-C4' energy: -57.773
flat angles P-C4'-P energy: -25.441
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -261.610240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.610240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.610240 (E_RNA)
where:
Base-Base interactions energy: -98.429
where: short stacking energy: -81.028
Base-Backbone interact. energy: -0.268
local terms energy: -162.912868
where:
bonds (distance) C4'-P energy: -38.879
bonds (distance) P-C4' energy: -52.363
flat angles C4'-P-C4' energy: -34.672
flat angles P-C4'-P energy: -36.729
tors. eta vs tors. theta energy: -0.270
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: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1000.468320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.468320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.468320 (E_RNA)
where:
Base-Base interactions energy: -656.973
where: short stacking energy: -297.165
Base-Backbone interact. energy: -2.750
local terms energy: -340.745291
where:
bonds (distance) C4'-P energy: -56.587
bonds (distance) P-C4' energy: -69.636
flat angles C4'-P-C4' energy: -77.321
flat angles P-C4'-P energy: -48.458
tors. eta vs tors. theta energy: -88.743
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: 2, replica: 8
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -905.025305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.025305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.025305 (E_RNA)
where:
Base-Base interactions energy: -574.263
where: short stacking energy: -272.440
Base-Backbone interact. energy: -3.793
local terms energy: -326.969062
where:
bonds (distance) C4'-P energy: -64.279
bonds (distance) P-C4' energy: -71.770
flat angles C4'-P-C4' energy: -71.681
flat angles P-C4'-P energy: -44.407
tors. eta vs tors. theta energy: -74.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -905.468081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.468081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.468081 (E_RNA)
where:
Base-Base interactions energy: -589.133
where: short stacking energy: -288.432
Base-Backbone interact. energy: -1.965
local terms energy: -314.370543
where:
bonds (distance) C4'-P energy: -63.780
bonds (distance) P-C4' energy: -56.380
flat angles C4'-P-C4' energy: -71.284
flat angles P-C4'-P energy: -44.668
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: 4, replica: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -832.223617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.223617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.223617 (E_RNA)
where:
Base-Base interactions energy: -540.501
where: short stacking energy: -252.338
Base-Backbone interact. energy: -1.564
local terms energy: -290.259260
where:
bonds (distance) C4'-P energy: -63.127
bonds (distance) P-C4' energy: -53.648
flat angles C4'-P-C4' energy: -68.335
flat angles P-C4'-P energy: -40.373
tors. eta vs tors. theta energy: -64.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.101 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -677.355496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.355496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.355496 (E_RNA)
where:
Base-Base interactions energy: -410.247
where: short stacking energy: -199.386
Base-Backbone interact. energy: -2.193
local terms energy: -264.914782
where:
bonds (distance) C4'-P energy: -53.627
bonds (distance) P-C4' energy: -58.555
flat angles C4'-P-C4' energy: -59.262
flat angles P-C4'-P energy: -43.382
tors. eta vs tors. theta energy: -50.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -704.912225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.912225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.912225 (E_RNA)
where:
Base-Base interactions energy: -447.078
where: short stacking energy: -226.949
Base-Backbone interact. energy: -2.509
local terms energy: -255.325199
where:
bonds (distance) C4'-P energy: -51.953
bonds (distance) P-C4' energy: -56.964
flat angles C4'-P-C4' energy: -52.737
flat angles P-C4'-P energy: -46.225
tors. eta vs tors. theta energy: -47.447
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: 7, replica: 3
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -540.431127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.431127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.431127 (E_RNA)
where:
Base-Base interactions energy: -292.647
where: short stacking energy: -152.278
Base-Backbone interact. energy: 0.611
local terms energy: -248.395739
where:
bonds (distance) C4'-P energy: -53.110
bonds (distance) P-C4' energy: -64.540
flat angles C4'-P-C4' energy: -53.350
flat angles P-C4'-P energy: -42.270
tors. eta vs tors. theta energy: -35.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -365.565105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.565105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.565105 (E_RNA)
where:
Base-Base interactions energy: -168.394
where: short stacking energy: -118.316
Base-Backbone interact. energy: -0.847
local terms energy: -196.324282
where:
bonds (distance) C4'-P energy: -53.735
bonds (distance) P-C4' energy: -56.296
flat angles C4'-P-C4' energy: -58.932
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -12.784
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: 9, replica: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -304.059700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.059700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.059700 (E_RNA)
where:
Base-Base interactions energy: -122.177
where: short stacking energy: -82.667
Base-Backbone interact. energy: -1.049
local terms energy: -180.833877
where:
bonds (distance) C4'-P energy: -58.179
bonds (distance) P-C4' energy: -52.200
flat angles C4'-P-C4' energy: -46.243
flat angles P-C4'-P energy: -31.197
tors. eta vs tors. theta energy: 6.986
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: 10, replica: 5
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -271.825828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.825828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.825828 (E_RNA)
where:
Base-Base interactions energy: -94.082
where: short stacking energy: -66.534
Base-Backbone interact. energy: -3.397
local terms energy: -174.346360
where:
bonds (distance) C4'-P energy: -54.881
bonds (distance) P-C4' energy: -70.550
flat angles C4'-P-C4' energy: -40.983
flat angles P-C4'-P energy: -23.437
tors. eta vs tors. theta energy: 15.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1016.227733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.227733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.227733 (E_RNA)
where:
Base-Base interactions energy: -684.717
where: short stacking energy: -325.973
Base-Backbone interact. energy: -2.473
local terms energy: -329.037076
where:
bonds (distance) C4'-P energy: -56.636
bonds (distance) P-C4' energy: -75.411
flat angles C4'-P-C4' energy: -65.908
flat angles P-C4'-P energy: -36.683
tors. eta vs tors. theta energy: -94.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -933.840811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.840811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.840811 (E_RNA)
where:
Base-Base interactions energy: -615.682
where: short stacking energy: -285.691
Base-Backbone interact. energy: -3.004
local terms energy: -315.154313
where:
bonds (distance) C4'-P energy: -62.254
bonds (distance) P-C4' energy: -63.897
flat angles C4'-P-C4' energy: -66.114
flat angles P-C4'-P energy: -47.679
tors. eta vs tors. theta energy: -75.212
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: 8
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -866.835840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.835840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.835840 (E_RNA)
where:
Base-Base interactions energy: -560.493
where: short stacking energy: -256.296
Base-Backbone interact. energy: 0.654
local terms energy: -306.996339
where:
bonds (distance) C4'-P energy: -63.567
bonds (distance) P-C4' energy: -55.872
flat angles C4'-P-C4' energy: -72.810
flat angles P-C4'-P energy: -51.488
tors. eta vs tors. theta energy: -63.260
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: 7
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -827.735044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.735044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.735044 (E_RNA)
where:
Base-Base interactions energy: -541.815
where: short stacking energy: -258.721
Base-Backbone interact. energy: -0.990
local terms energy: -284.930823
where:
bonds (distance) C4'-P energy: -56.824
bonds (distance) P-C4' energy: -63.544
flat angles C4'-P-C4' energy: -66.804
flat angles P-C4'-P energy: -36.194
tors. eta vs tors. theta energy: -61.566
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: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -692.479904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.479904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.479904 (E_RNA)
where:
Base-Base interactions energy: -439.662
where: short stacking energy: -194.415
Base-Backbone interact. energy: 3.267
local terms energy: -256.084372
where:
bonds (distance) C4'-P energy: -67.601
bonds (distance) P-C4' energy: -72.080
flat angles C4'-P-C4' energy: -55.042
flat angles P-C4'-P energy: -29.250
tors. eta vs tors. theta energy: -32.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -678.646872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.646872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.646872 (E_RNA)
where:
Base-Base interactions energy: -427.351
where: short stacking energy: -198.617
Base-Backbone interact. energy: -1.715
local terms energy: -249.581098
where:
bonds (distance) C4'-P energy: -54.097
bonds (distance) P-C4' energy: -55.590
flat angles C4'-P-C4' energy: -67.425
flat angles P-C4'-P energy: -31.274
tors. eta vs tors. theta energy: -41.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -535.873994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.873994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.873994 (E_RNA)
where:
Base-Base interactions energy: -304.922
where: short stacking energy: -144.634
Base-Backbone interact. energy: -0.882
local terms energy: -230.070130
where:
bonds (distance) C4'-P energy: -60.399
bonds (distance) P-C4' energy: -58.742
flat angles C4'-P-C4' energy: -61.081
flat angles P-C4'-P energy: -30.653
tors. eta vs tors. theta energy: -19.196
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: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -408.977472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.977472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.977472 (E_RNA)
where:
Base-Base interactions energy: -215.694
where: short stacking energy: -121.956
Base-Backbone interact. energy: 2.127
local terms energy: -195.410446
where:
bonds (distance) C4'-P energy: -47.481
bonds (distance) P-C4' energy: -65.282
flat angles C4'-P-C4' energy: -46.323
flat angles P-C4'-P energy: -27.949
tors. eta vs tors. theta energy: -8.376
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: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -284.612127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.612127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.612127 (E_RNA)
where:
Base-Base interactions energy: -109.392
where: short stacking energy: -101.340
Base-Backbone interact. energy: -1.949
local terms energy: -173.271826
where:
bonds (distance) C4'-P energy: -51.728
bonds (distance) P-C4' energy: -61.296
flat angles C4'-P-C4' energy: -35.340
flat angles P-C4'-P energy: -32.822
tors. eta vs tors. theta energy: 7.914
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: 10, replica: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -264.901305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.901305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.901305 (E_RNA)
where:
Base-Base interactions energy: -92.374
where: short stacking energy: -84.729
Base-Backbone interact. energy: 0.192
local terms energy: -172.719809
where:
bonds (distance) C4'-P energy: -61.584
bonds (distance) P-C4' energy: -51.894
flat angles C4'-P-C4' energy: -51.140
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: 12.124
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: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1007.748567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.748567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.748567 (E_RNA)
where:
Base-Base interactions energy: -678.872
where: short stacking energy: -317.481
Base-Backbone interact. energy: -1.925
local terms energy: -326.951811
where:
bonds (distance) C4'-P energy: -64.307
bonds (distance) P-C4' energy: -67.294
flat angles C4'-P-C4' energy: -62.820
flat angles P-C4'-P energy: -44.888
tors. eta vs tors. theta energy: -87.642
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: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -950.408374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.408374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.408374 (E_RNA)
where:
Base-Base interactions energy: -617.730
where: short stacking energy: -294.105
Base-Backbone interact. energy: -2.093
local terms energy: -330.585421
where:
bonds (distance) C4'-P energy: -60.573
bonds (distance) P-C4' energy: -72.827
flat angles C4'-P-C4' energy: -73.712
flat angles P-C4'-P energy: -40.950
tors. eta vs tors. theta energy: -82.524
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: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -905.478949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.478949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.478949 (E_RNA)
where:
Base-Base interactions energy: -605.484
where: short stacking energy: -249.329
Base-Backbone interact. energy: -2.399
local terms energy: -297.755892
where:
bonds (distance) C4'-P energy: -54.238
bonds (distance) P-C4' energy: -67.284
flat angles C4'-P-C4' energy: -66.526
flat angles P-C4'-P energy: -36.705
tors. eta vs tors. theta energy: -73.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.160 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -841.447313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.447313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.447313 (E_RNA)
where:
Base-Base interactions energy: -545.056
where: short stacking energy: -253.809
Base-Backbone interact. energy: -2.751
local terms energy: -293.639716
where:
bonds (distance) C4'-P energy: -62.934
bonds (distance) P-C4' energy: -56.634
flat angles C4'-P-C4' energy: -62.443
flat angles P-C4'-P energy: -46.141
tors. eta vs tors. theta energy: -65.487
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: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -665.701013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.701013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.701013 (E_RNA)
where:
Base-Base interactions energy: -405.484
where: short stacking energy: -214.494
Base-Backbone interact. energy: -1.216
local terms energy: -259.001399
where:
bonds (distance) C4'-P energy: -55.759
bonds (distance) P-C4' energy: -61.667
flat angles C4'-P-C4' energy: -62.422
flat angles P-C4'-P energy: -27.356
tors. eta vs tors. theta energy: -51.798
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: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -643.740350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.740350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.740350 (E_RNA)
where:
Base-Base interactions energy: -405.980
where: short stacking energy: -186.121
Base-Backbone interact. energy: 0.302
local terms energy: -238.063141
where:
bonds (distance) C4'-P energy: -44.605
bonds (distance) P-C4' energy: -53.464
flat angles C4'-P-C4' energy: -61.831
flat angles P-C4'-P energy: -40.630
tors. eta vs tors. theta energy: -37.534
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: 7, replica: 3
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -538.598515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.598515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.598515 (E_RNA)
where:
Base-Base interactions energy: -310.046
where: short stacking energy: -175.898
Base-Backbone interact. energy: 0.278
local terms energy: -228.830093
where:
bonds (distance) C4'-P energy: -55.875
bonds (distance) P-C4' energy: -56.093
flat angles C4'-P-C4' energy: -56.135
flat angles P-C4'-P energy: -21.528
tors. eta vs tors. theta energy: -39.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -456.544664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.544664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.544664 (E_RNA)
where:
Base-Base interactions energy: -262.950
where: short stacking energy: -135.712
Base-Backbone interact. energy: -1.489
local terms energy: -192.105649
where:
bonds (distance) C4'-P energy: -45.232
bonds (distance) P-C4' energy: -53.623
flat angles C4'-P-C4' energy: -46.228
flat angles P-C4'-P energy: -33.866
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -295.025303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.025303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.025303 (E_RNA)
where:
Base-Base interactions energy: -92.221
where: short stacking energy: -78.675
Base-Backbone interact. energy: -1.565
local terms energy: -201.239007
where:
bonds (distance) C4'-P energy: -62.411
bonds (distance) P-C4' energy: -51.598
flat angles C4'-P-C4' energy: -52.028
flat angles P-C4'-P energy: -38.672
tors. eta vs tors. theta energy: 3.470
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: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -271.393188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.393188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.393188 (E_RNA)
where:
Base-Base interactions energy: -85.805
where: short stacking energy: -71.535
Base-Backbone interact. energy: -1.263
local terms energy: -185.677204
where:
bonds (distance) C4'-P energy: -66.011
bonds (distance) P-C4' energy: -68.801
flat angles C4'-P-C4' energy: -40.449
flat angles P-C4'-P energy: -24.696
tors. eta vs tors. theta energy: 14.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.353 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -988.431588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.431588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.431588 (E_RNA)
where:
Base-Base interactions energy: -660.203
where: short stacking energy: -318.706
Base-Backbone interact. energy: -0.364
local terms energy: -327.864646
where:
bonds (distance) C4'-P energy: -61.729
bonds (distance) P-C4' energy: -70.858
flat angles C4'-P-C4' energy: -72.767
flat angles P-C4'-P energy: -42.226
tors. eta vs tors. theta energy: -80.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -956.896148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.896148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.896148 (E_RNA)
where:
Base-Base interactions energy: -606.270
where: short stacking energy: -297.597
Base-Backbone interact. energy: -0.584
local terms energy: -350.041946
where:
bonds (distance) C4'-P energy: -69.172
bonds (distance) P-C4' energy: -68.551
flat angles C4'-P-C4' energy: -74.191
flat angles P-C4'-P energy: -56.197
tors. eta vs tors. theta energy: -81.930
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: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -899.474873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.474873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.474873 (E_RNA)
where:
Base-Base interactions energy: -598.131
where: short stacking energy: -272.538
Base-Backbone interact. energy: -1.942
local terms energy: -299.402584
where:
bonds (distance) C4'-P energy: -50.715
bonds (distance) P-C4' energy: -67.374
flat angles C4'-P-C4' energy: -61.966
flat angles P-C4'-P energy: -48.367
tors. eta vs tors. theta energy: -70.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -826.927681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.927681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.927681 (E_RNA)
where:
Base-Base interactions energy: -529.879
where: short stacking energy: -254.651
Base-Backbone interact. energy: 0.533
local terms energy: -297.581621
where:
bonds (distance) C4'-P energy: -60.858
bonds (distance) P-C4' energy: -60.609
flat angles C4'-P-C4' energy: -69.992
flat angles P-C4'-P energy: -36.440
tors. eta vs tors. theta energy: -69.683
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: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -650.984182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.984182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.984182 (E_RNA)
where:
Base-Base interactions energy: -392.575
where: short stacking energy: -169.737
Base-Backbone interact. energy: -1.236
local terms energy: -257.173214
where:
bonds (distance) C4'-P energy: -65.845
bonds (distance) P-C4' energy: -67.641
flat angles C4'-P-C4' energy: -49.769
flat angles P-C4'-P energy: -41.971
tors. eta vs tors. theta energy: -31.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -650.159314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.159314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.159314 (E_RNA)
where:
Base-Base interactions energy: -400.913
where: short stacking energy: -206.473
Base-Backbone interact. energy: -1.856
local terms energy: -247.390157
where:
bonds (distance) C4'-P energy: -67.895
bonds (distance) P-C4' energy: -46.962
flat angles C4'-P-C4' energy: -52.098
flat angles P-C4'-P energy: -39.225
tors. eta vs tors. theta energy: -41.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -515.165539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.165539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.165539 (E_RNA)
where:
Base-Base interactions energy: -296.122
where: short stacking energy: -149.360
Base-Backbone interact. energy: -1.842
local terms energy: -217.201813
where:
bonds (distance) C4'-P energy: -52.287
bonds (distance) P-C4' energy: -47.832
flat angles C4'-P-C4' energy: -56.166
flat angles P-C4'-P energy: -34.642
tors. eta vs tors. theta energy: -26.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -426.449663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.449663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.449663 (E_RNA)
where:
Base-Base interactions energy: -238.273
where: short stacking energy: -140.582
Base-Backbone interact. energy: -2.146
local terms energy: -186.031167
where:
bonds (distance) C4'-P energy: -48.861
bonds (distance) P-C4' energy: -47.665
flat angles C4'-P-C4' energy: -43.305
flat angles P-C4'-P energy: -32.466
tors. eta vs tors. theta energy: -13.734
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: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -287.550583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.550583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.550583 (E_RNA)
where:
Base-Base interactions energy: -95.295
where: short stacking energy: -83.127
Base-Backbone interact. energy: 0.701
local terms energy: -192.956764
where:
bonds (distance) C4'-P energy: -42.240
bonds (distance) P-C4' energy: -64.741
flat angles C4'-P-C4' energy: -45.835
flat angles P-C4'-P energy: -36.967
tors. eta vs tors. theta energy: -3.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -276.606798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.606798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.606798 (E_RNA)
where:
Base-Base interactions energy: -102.779
where: short stacking energy: -86.720
Base-Backbone interact. energy: 0.058
local terms energy: -173.885086
where:
bonds (distance) C4'-P energy: -55.122
bonds (distance) P-C4' energy: -50.708
flat angles C4'-P-C4' energy: -49.816
flat angles P-C4'-P energy: -25.754
tors. eta vs tors. theta energy: 7.514
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: 1, replica: 2
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -995.736774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.736774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.736774 (E_RNA)
where:
Base-Base interactions energy: -661.682
where: short stacking energy: -307.633
Base-Backbone interact. energy: -1.222
local terms energy: -332.832720
where:
bonds (distance) C4'-P energy: -60.774
bonds (distance) P-C4' energy: -66.227
flat angles C4'-P-C4' energy: -74.300
flat angles P-C4'-P energy: -51.485
tors. eta vs tors. theta energy: -80.046
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: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -924.197971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.197971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.197971 (E_RNA)
where:
Base-Base interactions energy: -605.886
where: short stacking energy: -303.160
Base-Backbone interact. energy: -2.268
local terms energy: -316.043075
where:
bonds (distance) C4'-P energy: -57.600
bonds (distance) P-C4' energy: -62.591
flat angles C4'-P-C4' energy: -66.666
flat angles P-C4'-P energy: -46.685
tors. eta vs tors. theta energy: -82.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -908.686789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.686789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.686789 (E_RNA)
where:
Base-Base interactions energy: -623.580
where: short stacking energy: -278.779
Base-Backbone interact. energy: -0.418
local terms energy: -286.703338
where:
bonds (distance) C4'-P energy: -54.165
bonds (distance) P-C4' energy: -58.876
flat angles C4'-P-C4' energy: -63.111
flat angles P-C4'-P energy: -42.693
tors. eta vs tors. theta energy: -67.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.014 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -803.819762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.819762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.819762 (E_RNA)
where:
Base-Base interactions energy: -514.831
where: short stacking energy: -227.708
Base-Backbone interact. energy: -0.936
local terms energy: -288.052853
where:
bonds (distance) C4'-P energy: -55.463
bonds (distance) P-C4' energy: -63.470
flat angles C4'-P-C4' energy: -65.338
flat angles P-C4'-P energy: -40.812
tors. eta vs tors. theta energy: -62.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -675.479775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.479775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.479775 (E_RNA)
where:
Base-Base interactions energy: -413.392
where: short stacking energy: -201.283
Base-Backbone interact. energy: -2.363
local terms energy: -259.725423
where:
bonds (distance) C4'-P energy: -55.838
bonds (distance) P-C4' energy: -55.491
flat angles C4'-P-C4' energy: -59.507
flat angles P-C4'-P energy: -40.939
tors. eta vs tors. theta energy: -47.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -621.210841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.210841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.210841 (E_RNA)
where:
Base-Base interactions energy: -379.902
where: short stacking energy: -176.726
Base-Backbone interact. energy: 2.282
local terms energy: -243.591280
where:
bonds (distance) C4'-P energy: -57.614
bonds (distance) P-C4' energy: -64.089
flat angles C4'-P-C4' energy: -57.357
flat angles P-C4'-P energy: -31.970
tors. eta vs tors. theta energy: -32.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -541.659076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.659076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.659076 (E_RNA)
where:
Base-Base interactions energy: -325.528
where: short stacking energy: -165.466
Base-Backbone interact. energy: 4.001
local terms energy: -220.132264
where:
bonds (distance) C4'-P energy: -56.065
bonds (distance) P-C4' energy: -52.705
flat angles C4'-P-C4' energy: -57.738
flat angles P-C4'-P energy: -32.881
tors. eta vs tors. theta energy: -20.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -449.502154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.502154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.502154 (E_RNA)
where:
Base-Base interactions energy: -260.206
where: short stacking energy: -138.039
Base-Backbone interact. energy: 5.310
local terms energy: -194.605634
where:
bonds (distance) C4'-P energy: -44.417
bonds (distance) P-C4' energy: -65.336
flat angles C4'-P-C4' energy: -47.866
flat angles P-C4'-P energy: -23.386
tors. eta vs tors. theta energy: -13.601
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: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -297.024531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.024531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.024531 (E_RNA)
where:
Base-Base interactions energy: -131.176
where: short stacking energy: -95.939
Base-Backbone interact. energy: -0.372
local terms energy: -165.476188
where:
bonds (distance) C4'-P energy: -40.205
bonds (distance) P-C4' energy: -53.012
flat angles C4'-P-C4' energy: -49.015
flat angles P-C4'-P energy: -27.626
tors. eta vs tors. theta energy: 4.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -261.722327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.722327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.722327 (E_RNA)
where:
Base-Base interactions energy: -80.949
where: short stacking energy: -76.438
Base-Backbone interact. energy: -0.358
local terms energy: -180.415230
where:
bonds (distance) C4'-P energy: -46.974
bonds (distance) P-C4' energy: -58.833
flat angles C4'-P-C4' energy: -47.086
flat angles P-C4'-P energy: -35.990
tors. eta vs tors. theta energy: 8.467
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: 2
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1011.101181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.101181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.101181 (E_RNA)
where:
Base-Base interactions energy: -665.959
where: short stacking energy: -310.390
Base-Backbone interact. energy: -0.643
local terms energy: -344.498383
where:
bonds (distance) C4'-P energy: -63.206
bonds (distance) P-C4' energy: -63.577
flat angles C4'-P-C4' energy: -71.711
flat angles P-C4'-P energy: -59.883
tors. eta vs tors. theta energy: -86.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -898.834801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.834801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.834801 (E_RNA)
where:
Base-Base interactions energy: -592.187
where: short stacking energy: -279.255
Base-Backbone interact. energy: 0.253
local terms energy: -306.901316
where:
bonds (distance) C4'-P energy: -63.426
bonds (distance) P-C4' energy: -67.617
flat angles C4'-P-C4' energy: -66.649
flat angles P-C4'-P energy: -38.800
tors. eta vs tors. theta energy: -70.409
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: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -922.503800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.503800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.503800 (E_RNA)
where:
Base-Base interactions energy: -615.529
where: short stacking energy: -276.628
Base-Backbone interact. energy: -2.098
local terms energy: -305.100848
where:
bonds (distance) C4'-P energy: -60.252
bonds (distance) P-C4' energy: -51.183
flat angles C4'-P-C4' energy: -66.525
flat angles P-C4'-P energy: -51.955
tors. eta vs tors. theta energy: -75.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.225 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -795.905732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.905732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.905732 (E_RNA)
where:
Base-Base interactions energy: -491.152
where: short stacking energy: -233.298
Base-Backbone interact. energy: -0.993
local terms energy: -303.760384
where:
bonds (distance) C4'-P energy: -61.929
bonds (distance) P-C4' energy: -70.030
flat angles C4'-P-C4' energy: -67.774
flat angles P-C4'-P energy: -50.487
tors. eta vs tors. theta energy: -53.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -645.280375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.280375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.280375 (E_RNA)
where:
Base-Base interactions energy: -387.824
where: short stacking energy: -186.766
Base-Backbone interact. energy: -2.410
local terms energy: -255.046338
where:
bonds (distance) C4'-P energy: -56.061
bonds (distance) P-C4' energy: -66.891
flat angles C4'-P-C4' energy: -55.593
flat angles P-C4'-P energy: -41.287
tors. eta vs tors. theta energy: -35.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -647.103559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.103559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.103559 (E_RNA)
where:
Base-Base interactions energy: -403.483
where: short stacking energy: -200.093
Base-Backbone interact. energy: 0.602
local terms energy: -244.223039
where:
bonds (distance) C4'-P energy: -45.169
bonds (distance) P-C4' energy: -65.955
flat angles C4'-P-C4' energy: -59.206
flat angles P-C4'-P energy: -38.188
tors. eta vs tors. theta energy: -35.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -560.116387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.116387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.116387 (E_RNA)
where:
Base-Base interactions energy: -323.054
where: short stacking energy: -152.671
Base-Backbone interact. energy: 1.531
local terms energy: -238.593522
where:
bonds (distance) C4'-P energy: -55.002
bonds (distance) P-C4' energy: -68.415
flat angles C4'-P-C4' energy: -48.424
flat angles P-C4'-P energy: -34.328
tors. eta vs tors. theta energy: -32.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -510.993673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.993673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.993673 (E_RNA)
where:
Base-Base interactions energy: -281.904
where: short stacking energy: -154.024
Base-Backbone interact. energy: 0.231
local terms energy: -229.320248
where:
bonds (distance) C4'-P energy: -57.965
bonds (distance) P-C4' energy: -58.940
flat angles C4'-P-C4' energy: -38.886
flat angles P-C4'-P energy: -39.666
tors. eta vs tors. theta energy: -33.863
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: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -292.128328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.128328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.128328 (E_RNA)
where:
Base-Base interactions energy: -115.362
where: short stacking energy: -87.791
Base-Backbone interact. energy: -0.854
local terms energy: -175.912493
where:
bonds (distance) C4'-P energy: -50.560
bonds (distance) P-C4' energy: -59.667
flat angles C4'-P-C4' energy: -43.599
flat angles P-C4'-P energy: -29.303
tors. eta vs tors. theta energy: 7.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -276.729032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.729032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.729032 (E_RNA)
where:
Base-Base interactions energy: -91.346
where: short stacking energy: -79.763
Base-Backbone interact. energy: 0.859
local terms energy: -186.242008
where:
bonds (distance) C4'-P energy: -56.909
bonds (distance) P-C4' energy: -73.035
flat angles C4'-P-C4' energy: -38.301
flat angles P-C4'-P energy: -22.176
tors. eta vs tors. theta energy: 4.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -988.628631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.628631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.628631 (E_RNA)
where:
Base-Base interactions energy: -656.445
where: short stacking energy: -306.402
Base-Backbone interact. energy: -0.804
local terms energy: -331.380412
where:
bonds (distance) C4'-P energy: -69.251
bonds (distance) P-C4' energy: -58.134
flat angles C4'-P-C4' energy: -72.041
flat angles P-C4'-P energy: -49.887
tors. eta vs tors. theta energy: -82.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -951.888208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.888208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.888208 (E_RNA)
where:
Base-Base interactions energy: -615.795
where: short stacking energy: -298.017
Base-Backbone interact. energy: 0.360
local terms energy: -336.453135
where:
bonds (distance) C4'-P energy: -67.792
bonds (distance) P-C4' energy: -60.055
flat angles C4'-P-C4' energy: -78.103
flat angles P-C4'-P energy: -45.912
tors. eta vs tors. theta energy: -84.592
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: 3, replica: 7
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -892.537709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.537709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.537709 (E_RNA)
where:
Base-Base interactions energy: -595.488
where: short stacking energy: -279.710
Base-Backbone interact. energy: -0.888
local terms energy: -296.161726
where:
bonds (distance) C4'-P energy: -58.696
bonds (distance) P-C4' energy: -61.792
flat angles C4'-P-C4' energy: -62.567
flat angles P-C4'-P energy: -37.626
tors. eta vs tors. theta energy: -75.481
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: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -803.754019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.754019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.754019 (E_RNA)
where:
Base-Base interactions energy: -505.683
where: short stacking energy: -234.400
Base-Backbone interact. energy: -0.983
local terms energy: -297.087547
where:
bonds (distance) C4'-P energy: -60.776
bonds (distance) P-C4' energy: -69.983
flat angles C4'-P-C4' energy: -68.161
flat angles P-C4'-P energy: -36.589
tors. eta vs tors. theta energy: -61.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -674.001896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.001896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.001896 (E_RNA)
where:
Base-Base interactions energy: -407.801
where: short stacking energy: -199.430
Base-Backbone interact. energy: 1.193
local terms energy: -267.393843
where:
bonds (distance) C4'-P energy: -66.583
bonds (distance) P-C4' energy: -61.941
flat angles C4'-P-C4' energy: -56.896
flat angles P-C4'-P energy: -42.567
tors. eta vs tors. theta energy: -39.407
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: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -632.088017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.088017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.088017 (E_RNA)
where:
Base-Base interactions energy: -388.745
where: short stacking energy: -194.982
Base-Backbone interact. energy: 0.485
local terms energy: -243.827991
where:
bonds (distance) C4'-P energy: -56.046
bonds (distance) P-C4' energy: -55.201
flat angles C4'-P-C4' energy: -61.411
flat angles P-C4'-P energy: -37.088
tors. eta vs tors. theta energy: -34.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -508.206388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.206388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.206388 (E_RNA)
where:
Base-Base interactions energy: -282.580
where: short stacking energy: -153.700
Base-Backbone interact. energy: -1.677
local terms energy: -223.948644
where:
bonds (distance) C4'-P energy: -44.144
bonds (distance) P-C4' energy: -58.182
flat angles C4'-P-C4' energy: -62.198
flat angles P-C4'-P energy: -23.501
tors. eta vs tors. theta energy: -35.923
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: 8, replica: 3
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -531.183990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.183990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.183990 (E_RNA)
where:
Base-Base interactions energy: -302.761
where: short stacking energy: -155.274
Base-Backbone interact. energy: 1.140
local terms energy: -229.563407
where:
bonds (distance) C4'-P energy: -40.632
bonds (distance) P-C4' energy: -63.942
flat angles C4'-P-C4' energy: -55.462
flat angles P-C4'-P energy: -33.481
tors. eta vs tors. theta energy: -36.046
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: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -281.406346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.406346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.406346 (E_RNA)
where:
Base-Base interactions energy: -101.284
where: short stacking energy: -91.584
Base-Backbone interact. energy: -0.766
local terms energy: -179.356662
where:
bonds (distance) C4'-P energy: -58.199
bonds (distance) P-C4' energy: -54.555
flat angles C4'-P-C4' energy: -54.548
flat angles P-C4'-P energy: -22.292
tors. eta vs tors. theta energy: 10.238
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: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -285.543756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.543756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.543756 (E_RNA)
where:
Base-Base interactions energy: -109.133
where: short stacking energy: -85.083
Base-Backbone interact. energy: 3.379
local terms energy: -179.789529
where:
bonds (distance) C4'-P energy: -51.036
bonds (distance) P-C4' energy: -54.555
flat angles C4'-P-C4' energy: -40.836
flat angles P-C4'-P energy: -34.249
tors. eta vs tors. theta energy: 0.885
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: 1, replica: 2
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -990.594109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.594109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.594109 (E_RNA)
where:
Base-Base interactions energy: -641.400
where: short stacking energy: -296.592
Base-Backbone interact. energy: -2.640
local terms energy: -346.553562
where:
bonds (distance) C4'-P energy: -71.430
bonds (distance) P-C4' energy: -69.853
flat angles C4'-P-C4' energy: -75.545
flat angles P-C4'-P energy: -51.960
tors. eta vs tors. theta energy: -77.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -922.284598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.284598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.284598 (E_RNA)
where:
Base-Base interactions energy: -595.174
where: short stacking energy: -272.719
Base-Backbone interact. energy: -1.218
local terms energy: -325.892609
where:
bonds (distance) C4'-P energy: -61.789
bonds (distance) P-C4' energy: -63.480
flat angles C4'-P-C4' energy: -77.048
flat angles P-C4'-P energy: -50.463
tors. eta vs tors. theta energy: -73.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -887.753075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.753075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.753075 (E_RNA)
where:
Base-Base interactions energy: -584.694
where: short stacking energy: -257.343
Base-Backbone interact. energy: -1.436
local terms energy: -301.623020
where:
bonds (distance) C4'-P energy: -52.443
bonds (distance) P-C4' energy: -68.741
flat angles C4'-P-C4' energy: -65.058
flat angles P-C4'-P energy: -48.381
tors. eta vs tors. theta energy: -67.001
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: 8
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -797.565807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.565807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.565807 (E_RNA)
where:
Base-Base interactions energy: -512.094
where: short stacking energy: -228.001
Base-Backbone interact. energy: 0.479
local terms energy: -285.950828
where:
bonds (distance) C4'-P energy: -60.457
bonds (distance) P-C4' energy: -63.924
flat angles C4'-P-C4' energy: -63.687
flat angles P-C4'-P energy: -45.735
tors. eta vs tors. theta energy: -52.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -674.260849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.260849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.260849 (E_RNA)
where:
Base-Base interactions energy: -407.219
where: short stacking energy: -208.750
Base-Backbone interact. energy: -1.666
local terms energy: -265.376431
where:
bonds (distance) C4'-P energy: -52.866
bonds (distance) P-C4' energy: -56.694
flat angles C4'-P-C4' energy: -59.048
flat angles P-C4'-P energy: -38.984
tors. eta vs tors. theta energy: -57.784
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: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -653.336956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.336956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.336956 (E_RNA)
where:
Base-Base interactions energy: -412.244
where: short stacking energy: -192.447
Base-Backbone interact. energy: 1.195
local terms energy: -242.287379
where:
bonds (distance) C4'-P energy: -63.626
bonds (distance) P-C4' energy: -62.285
flat angles C4'-P-C4' energy: -47.590
flat angles P-C4'-P energy: -29.665
tors. eta vs tors. theta energy: -39.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -491.673349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.673349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.673349 (E_RNA)
where:
Base-Base interactions energy: -276.584
where: short stacking energy: -138.527
Base-Backbone interact. energy: 0.248
local terms energy: -215.337368
where:
bonds (distance) C4'-P energy: -51.557
bonds (distance) P-C4' energy: -64.252
flat angles C4'-P-C4' energy: -53.803
flat angles P-C4'-P energy: -30.297
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -468.201766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.201766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.201766 (E_RNA)
where:
Base-Base interactions energy: -280.018
where: short stacking energy: -132.555
Base-Backbone interact. energy: -2.103
local terms energy: -186.081744
where:
bonds (distance) C4'-P energy: -53.024
bonds (distance) P-C4' energy: -59.062
flat angles C4'-P-C4' energy: -45.893
flat angles P-C4'-P energy: -22.962
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -287.838708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.838708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.838708 (E_RNA)
where:
Base-Base interactions energy: -105.728
where: short stacking energy: -85.757
Base-Backbone interact. energy: 0.088
local terms energy: -182.198211
where:
bonds (distance) C4'-P energy: -45.623
bonds (distance) P-C4' energy: -67.433
flat angles C4'-P-C4' energy: -44.879
flat angles P-C4'-P energy: -25.988
tors. eta vs tors. theta energy: 1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -297.784578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.784578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.784578 (E_RNA)
where:
Base-Base interactions energy: -126.555
where: short stacking energy: -86.429
Base-Backbone interact. energy: -3.872
local terms energy: -167.357345
where:
bonds (distance) C4'-P energy: -50.938
bonds (distance) P-C4' energy: -39.229
flat angles C4'-P-C4' energy: -55.129
flat angles P-C4'-P energy: -29.600
tors. eta vs tors. theta energy: 7.539
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: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -992.886987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.886987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.886987 (E_RNA)
where:
Base-Base interactions energy: -652.516
where: short stacking energy: -302.628
Base-Backbone interact. energy: -2.566
local terms energy: -337.804423
where:
bonds (distance) C4'-P energy: -57.947
bonds (distance) P-C4' energy: -68.539
flat angles C4'-P-C4' energy: -78.181
flat angles P-C4'-P energy: -50.692
tors. eta vs tors. theta energy: -82.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -957.954419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.954419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.954419 (E_RNA)
where:
Base-Base interactions energy: -631.441
where: short stacking energy: -297.166
Base-Backbone interact. energy: -2.041
local terms energy: -324.472758
where:
bonds (distance) C4'-P energy: -52.293
bonds (distance) P-C4' energy: -61.463
flat angles C4'-P-C4' energy: -75.996
flat angles P-C4'-P energy: -55.489
tors. eta vs tors. theta energy: -79.232
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: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -889.636436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.636436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.636436 (E_RNA)
where:
Base-Base interactions energy: -593.971
where: short stacking energy: -266.891
Base-Backbone interact. energy: -1.457
local terms energy: -294.276155
where:
bonds (distance) C4'-P energy: -64.028
bonds (distance) P-C4' energy: -45.148
flat angles C4'-P-C4' energy: -68.874
flat angles P-C4'-P energy: -44.824
tors. eta vs tors. theta energy: -71.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.067 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -789.641128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.641128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.641128 (E_RNA)
where:
Base-Base interactions energy: -511.174
where: short stacking energy: -253.320
Base-Backbone interact. energy: 0.293
local terms energy: -278.759909
where:
bonds (distance) C4'-P energy: -62.604
bonds (distance) P-C4' energy: -60.434
flat angles C4'-P-C4' energy: -62.140
flat angles P-C4'-P energy: -33.953
tors. eta vs tors. theta energy: -59.629
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: 5, replica: 4
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -705.608639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.608639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.608639 (E_RNA)
where:
Base-Base interactions energy: -436.024
where: short stacking energy: -226.356
Base-Backbone interact. energy: 3.161
local terms energy: -272.745244
where:
bonds (distance) C4'-P energy: -53.280
bonds (distance) P-C4' energy: -58.554
flat angles C4'-P-C4' energy: -61.902
flat angles P-C4'-P energy: -41.231
tors. eta vs tors. theta energy: -57.778
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: 9
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -644.446598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.446598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.446598 (E_RNA)
where:
Base-Base interactions energy: -396.053
where: short stacking energy: -198.463
Base-Backbone interact. energy: -0.300
local terms energy: -248.092683
where:
bonds (distance) C4'-P energy: -58.552
bonds (distance) P-C4' energy: -56.750
flat angles C4'-P-C4' energy: -55.344
flat angles P-C4'-P energy: -37.602
tors. eta vs tors. theta energy: -39.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -484.938196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.938196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.938196 (E_RNA)
where:
Base-Base interactions energy: -267.227
where: short stacking energy: -146.607
Base-Backbone interact. energy: 0.343
local terms energy: -218.054243
where:
bonds (distance) C4'-P energy: -53.088
bonds (distance) P-C4' energy: -63.564
flat angles C4'-P-C4' energy: -53.240
flat angles P-C4'-P energy: -38.337
tors. eta vs tors. theta energy: -9.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -463.563414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.563414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.563414 (E_RNA)
where:
Base-Base interactions energy: -242.335
where: short stacking energy: -135.913
Base-Backbone interact. energy: 1.755
local terms energy: -222.983907
where:
bonds (distance) C4'-P energy: -54.824
bonds (distance) P-C4' energy: -52.057
flat angles C4'-P-C4' energy: -59.085
flat angles P-C4'-P energy: -47.059
tors. eta vs tors. theta energy: -9.959
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: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -274.282032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.282032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.282032 (E_RNA)
where:
Base-Base interactions energy: -99.801
where: short stacking energy: -87.469
Base-Backbone interact. energy: 3.108
local terms energy: -177.589303
where:
bonds (distance) C4'-P energy: -48.645
bonds (distance) P-C4' energy: -59.262
flat angles C4'-P-C4' energy: -46.323
flat angles P-C4'-P energy: -30.323
tors. eta vs tors. theta energy: 6.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -279.444977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.444977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.444977 (E_RNA)
where:
Base-Base interactions energy: -120.826
where: short stacking energy: -91.623
Base-Backbone interact. energy: 2.031
local terms energy: -160.650256
where:
bonds (distance) C4'-P energy: -51.997
bonds (distance) P-C4' energy: -58.985
flat angles C4'-P-C4' energy: -43.142
flat angles P-C4'-P energy: -24.484
tors. eta vs tors. theta energy: 17.958
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: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -968.228414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.228414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.228414 (E_RNA)
where:
Base-Base interactions energy: -638.733
where: short stacking energy: -285.111
Base-Backbone interact. energy: 1.511
local terms energy: -331.006824
where:
bonds (distance) C4'-P energy: -68.261
bonds (distance) P-C4' energy: -65.642
flat angles C4'-P-C4' energy: -70.656
flat angles P-C4'-P energy: -46.221
tors. eta vs tors. theta energy: -80.227
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: 2, replica: 1
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -937.175605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.175605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.175605 (E_RNA)
where:
Base-Base interactions energy: -610.740
where: short stacking energy: -276.138
Base-Backbone interact. energy: -1.686
local terms energy: -324.749426
where:
bonds (distance) C4'-P energy: -67.975
bonds (distance) P-C4' energy: -70.067
flat angles C4'-P-C4' energy: -61.493
flat angles P-C4'-P energy: -45.933
tors. eta vs tors. theta energy: -79.281
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: 7
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -929.712790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.712790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.712790 (E_RNA)
where:
Base-Base interactions energy: -623.236
where: short stacking energy: -276.879
Base-Backbone interact. energy: -2.066
local terms energy: -304.410843
where:
bonds (distance) C4'-P energy: -59.732
bonds (distance) P-C4' energy: -58.429
flat angles C4'-P-C4' energy: -69.217
flat angles P-C4'-P energy: -43.022
tors. eta vs tors. theta energy: -74.011
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: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -810.841117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.841117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.841117 (E_RNA)
where:
Base-Base interactions energy: -528.115
where: short stacking energy: -235.340
Base-Backbone interact. energy: -1.692
local terms energy: -281.033899
where:
bonds (distance) C4'-P energy: -44.879
bonds (distance) P-C4' energy: -67.688
flat angles C4'-P-C4' energy: -67.630
flat angles P-C4'-P energy: -41.376
tors. eta vs tors. theta energy: -59.460
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: 5, replica: 4
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -691.450000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.450000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.450000 (E_RNA)
where:
Base-Base interactions energy: -433.495
where: short stacking energy: -204.476
Base-Backbone interact. energy: -0.556
local terms energy: -257.399867
where:
bonds (distance) C4'-P energy: -52.486
bonds (distance) P-C4' energy: -51.513
flat angles C4'-P-C4' energy: -59.694
flat angles P-C4'-P energy: -46.270
tors. eta vs tors. theta energy: -47.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -642.992196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.992196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.992196 (E_RNA)
where:
Base-Base interactions energy: -382.335
where: short stacking energy: -199.534
Base-Backbone interact. energy: -2.693
local terms energy: -257.963838
where:
bonds (distance) C4'-P energy: -49.067
bonds (distance) P-C4' energy: -67.907
flat angles C4'-P-C4' energy: -60.188
flat angles P-C4'-P energy: -38.793
tors. eta vs tors. theta energy: -42.009
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: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -503.732901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.732901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.732901 (E_RNA)
where:
Base-Base interactions energy: -269.560
where: short stacking energy: -158.147
Base-Backbone interact. energy: 0.160
local terms energy: -234.332090
where:
bonds (distance) C4'-P energy: -58.423
bonds (distance) P-C4' energy: -61.678
flat angles C4'-P-C4' energy: -48.895
flat angles P-C4'-P energy: -35.423
tors. eta vs tors. theta energy: -29.913
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: 10
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -474.866174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.866174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.866174 (E_RNA)
where:
Base-Base interactions energy: -247.728
where: short stacking energy: -124.865
Base-Backbone interact. energy: -1.209
local terms energy: -225.928589
where:
bonds (distance) C4'-P energy: -63.965
bonds (distance) P-C4' energy: -61.888
flat angles C4'-P-C4' energy: -56.636
flat angles P-C4'-P energy: -30.676
tors. eta vs tors. theta energy: -12.764
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: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -285.971055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.971055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.971055 (E_RNA)
where:
Base-Base interactions energy: -122.217
where: short stacking energy: -87.690
Base-Backbone interact. energy: -0.656
local terms energy: -163.098225
where:
bonds (distance) C4'-P energy: -53.605
bonds (distance) P-C4' energy: -59.643
flat angles C4'-P-C4' energy: -48.356
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: 12.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -285.220842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.220842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.220842 (E_RNA)
where:
Base-Base interactions energy: -117.547
where: short stacking energy: -82.260
Base-Backbone interact. energy: -0.622
local terms energy: -167.052082
where:
bonds (distance) C4'-P energy: -49.884
bonds (distance) P-C4' energy: -61.752
flat angles C4'-P-C4' energy: -45.201
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: 7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -990.501710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.501710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.501710 (E_RNA)
where:
Base-Base interactions energy: -662.657
where: short stacking energy: -296.076
Base-Backbone interact. energy: -3.450
local terms energy: -324.394737
where:
bonds (distance) C4'-P energy: -64.833
bonds (distance) P-C4' energy: -53.019
flat angles C4'-P-C4' energy: -69.482
flat angles P-C4'-P energy: -50.561
tors. eta vs tors. theta energy: -86.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -928.480100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.480100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.480100 (E_RNA)
where:
Base-Base interactions energy: -601.005
where: short stacking energy: -280.633
Base-Backbone interact. energy: 1.849
local terms energy: -329.324213
where:
bonds (distance) C4'-P energy: -63.902
bonds (distance) P-C4' energy: -66.526
flat angles C4'-P-C4' energy: -79.119
flat angles P-C4'-P energy: -36.883
tors. eta vs tors. theta energy: -82.894
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: 7
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -906.332942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.332942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.332942 (E_RNA)
where:
Base-Base interactions energy: -612.295
where: short stacking energy: -260.576
Base-Backbone interact. energy: 0.746
local terms energy: -294.783668
where:
bonds (distance) C4'-P energy: -57.979
bonds (distance) P-C4' energy: -55.448
flat angles C4'-P-C4' energy: -70.891
flat angles P-C4'-P energy: -44.112
tors. eta vs tors. theta energy: -66.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -806.779575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.779575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.779575 (E_RNA)
where:
Base-Base interactions energy: -526.927
where: short stacking energy: -235.191
Base-Backbone interact. energy: -1.009
local terms energy: -278.844058
where:
bonds (distance) C4'-P energy: -56.595
bonds (distance) P-C4' energy: -61.917
flat angles C4'-P-C4' energy: -59.634
flat angles P-C4'-P energy: -47.543
tors. eta vs tors. theta energy: -53.156
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: 5, replica: 4
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -712.399359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.399359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.399359 (E_RNA)
where:
Base-Base interactions energy: -432.601
where: short stacking energy: -214.111
Base-Backbone interact. energy: -0.792
local terms energy: -279.006616
where:
bonds (distance) C4'-P energy: -63.814
bonds (distance) P-C4' energy: -60.178
flat angles C4'-P-C4' energy: -63.574
flat angles P-C4'-P energy: -43.357
tors. eta vs tors. theta energy: -48.083
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: 6, replica: 9
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -618.540303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.540303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.540303 (E_RNA)
where:
Base-Base interactions energy: -373.730
where: short stacking energy: -182.907
Base-Backbone interact. energy: -0.732
local terms energy: -244.078041
where:
bonds (distance) C4'-P energy: -48.295
bonds (distance) P-C4' energy: -50.995
flat angles C4'-P-C4' energy: -57.258
flat angles P-C4'-P energy: -44.024
tors. eta vs tors. theta energy: -43.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -462.656244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.656244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.656244 (E_RNA)
where:
Base-Base interactions energy: -239.942
where: short stacking energy: -128.396
Base-Backbone interact. energy: -0.923
local terms energy: -221.791415
where:
bonds (distance) C4'-P energy: -57.938
bonds (distance) P-C4' energy: -59.184
flat angles C4'-P-C4' energy: -50.895
flat angles P-C4'-P energy: -35.533
tors. eta vs tors. theta energy: -18.241
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: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -402.382296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.382296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.382296 (E_RNA)
where:
Base-Base interactions energy: -198.433
where: short stacking energy: -109.681
Base-Backbone interact. energy: -0.681
local terms energy: -203.268220
where:
bonds (distance) C4'-P energy: -64.955
bonds (distance) P-C4' energy: -52.788
flat angles C4'-P-C4' energy: -46.758
flat angles P-C4'-P energy: -39.041
tors. eta vs tors. theta energy: 0.274
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: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -291.823534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.823534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.823534 (E_RNA)
where:
Base-Base interactions energy: -124.367
where: short stacking energy: -97.133
Base-Backbone interact. energy: 2.538
local terms energy: -169.995371
where:
bonds (distance) C4'-P energy: -60.713
bonds (distance) P-C4' energy: -49.464
flat angles C4'-P-C4' energy: -40.801
flat angles P-C4'-P energy: -26.264
tors. eta vs tors. theta energy: 7.247
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: 10, replica: 6
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -267.254998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.254998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.254998 (E_RNA)
where:
Base-Base interactions energy: -104.003
where: short stacking energy: -88.521
Base-Backbone interact. energy: -0.930
local terms energy: -162.321914
where:
bonds (distance) C4'-P energy: -47.433
bonds (distance) P-C4' energy: -50.233
flat angles C4'-P-C4' energy: -45.051
flat angles P-C4'-P energy: -22.761
tors. eta vs tors. theta energy: 3.156
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: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -970.691963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.691963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.691963 (E_RNA)
where:
Base-Base interactions energy: -639.340
where: short stacking energy: -284.789
Base-Backbone interact. energy: -3.060
local terms energy: -328.292417
where:
bonds (distance) C4'-P energy: -65.501
bonds (distance) P-C4' energy: -59.745
flat angles C4'-P-C4' energy: -74.636
flat angles P-C4'-P energy: -54.564
tors. eta vs tors. theta energy: -73.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -934.048920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.048920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.048920 (E_RNA)
where:
Base-Base interactions energy: -640.243
where: short stacking energy: -264.508
Base-Backbone interact. energy: 3.510
local terms energy: -297.315662
where:
bonds (distance) C4'-P energy: -58.436
bonds (distance) P-C4' energy: -64.831
flat angles C4'-P-C4' energy: -69.484
flat angles P-C4'-P energy: -45.416
tors. eta vs tors. theta energy: -59.149
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: 3, replica: 1
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -919.325247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.325247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.325247 (E_RNA)
where:
Base-Base interactions energy: -607.115
where: short stacking energy: -292.646
Base-Backbone interact. energy: -1.629
local terms energy: -310.580896
where:
bonds (distance) C4'-P energy: -64.223
bonds (distance) P-C4' energy: -62.929
flat angles C4'-P-C4' energy: -61.260
flat angles P-C4'-P energy: -42.594
tors. eta vs tors. theta energy: -79.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -845.635009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.635009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.635009 (E_RNA)
where:
Base-Base interactions energy: -548.361
where: short stacking energy: -244.383
Base-Backbone interact. energy: -2.800
local terms energy: -294.474628
where:
bonds (distance) C4'-P energy: -64.207
bonds (distance) P-C4' energy: -62.220
flat angles C4'-P-C4' energy: -63.421
flat angles P-C4'-P energy: -43.618
tors. eta vs tors. theta energy: -61.008
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: 5, replica: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -739.295798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.295798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.295798 (E_RNA)
where:
Base-Base interactions energy: -480.987
where: short stacking energy: -192.188
Base-Backbone interact. energy: -1.613
local terms energy: -256.695939
where:
bonds (distance) C4'-P energy: -62.528
bonds (distance) P-C4' energy: -56.034
flat angles C4'-P-C4' energy: -67.966
flat angles P-C4'-P energy: -36.754
tors. eta vs tors. theta energy: -33.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -644.793045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.793045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.793045 (E_RNA)
where:
Base-Base interactions energy: -402.887
where: short stacking energy: -191.019
Base-Backbone interact. energy: 0.751
local terms energy: -242.656826
where:
bonds (distance) C4'-P energy: -57.234
bonds (distance) P-C4' energy: -62.492
flat angles C4'-P-C4' energy: -50.362
flat angles P-C4'-P energy: -37.328
tors. eta vs tors. theta energy: -35.240
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: 3
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -461.064342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.064342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.064342 (E_RNA)
where:
Base-Base interactions energy: -253.515
where: short stacking energy: -139.874
Base-Backbone interact. energy: 0.360
local terms energy: -207.909010
where:
bonds (distance) C4'-P energy: -47.014
bonds (distance) P-C4' energy: -65.627
flat angles C4'-P-C4' energy: -53.927
flat angles P-C4'-P energy: -24.089
tors. eta vs tors. theta energy: -17.252
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: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -374.336310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.336310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.336310 (E_RNA)
where:
Base-Base interactions energy: -187.119
where: short stacking energy: -114.171
Base-Backbone interact. energy: 2.342
local terms energy: -189.560195
where:
bonds (distance) C4'-P energy: -56.005
bonds (distance) P-C4' energy: -56.002
flat angles C4'-P-C4' energy: -46.244
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -7.704
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: 5
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -274.663808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.663808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.663808 (E_RNA)
where:
Base-Base interactions energy: -82.262
where: short stacking energy: -76.186
Base-Backbone interact. energy: -1.120
local terms energy: -191.282114
where:
bonds (distance) C4'-P energy: -63.827
bonds (distance) P-C4' energy: -59.718
flat angles C4'-P-C4' energy: -35.595
flat angles P-C4'-P energy: -34.786
tors. eta vs tors. theta energy: 2.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -268.880295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.880295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.880295 (E_RNA)
where:
Base-Base interactions energy: -98.054
where: short stacking energy: -77.939
Base-Backbone interact. energy: 3.302
local terms energy: -174.127983
where:
bonds (distance) C4'-P energy: -47.055
bonds (distance) P-C4' energy: -56.708
flat angles C4'-P-C4' energy: -49.444
flat angles P-C4'-P energy: -23.033
tors. eta vs tors. theta energy: 2.112
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: 64
Temperature: 0.900000
Total energy: -974.514609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.514609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.514609 (E_RNA)
where:
Base-Base interactions energy: -644.258
where: short stacking energy: -276.532
Base-Backbone interact. energy: 0.749
local terms energy: -331.005678
where:
bonds (distance) C4'-P energy: -52.562
bonds (distance) P-C4' energy: -70.483
flat angles C4'-P-C4' energy: -76.867
flat angles P-C4'-P energy: -52.585
tors. eta vs tors. theta energy: -78.509
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: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -953.785138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.785138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.785138 (E_RNA)
where:
Base-Base interactions energy: -631.726
where: short stacking energy: -278.390
Base-Backbone interact. energy: -1.529
local terms energy: -320.530753
where:
bonds (distance) C4'-P energy: -65.493
bonds (distance) P-C4' energy: -68.596
flat angles C4'-P-C4' energy: -73.078
flat angles P-C4'-P energy: -44.278
tors. eta vs tors. theta energy: -69.086
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: 1
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -914.450565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.450565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.450565 (E_RNA)
where:
Base-Base interactions energy: -610.496
where: short stacking energy: -294.051
Base-Backbone interact. energy: -0.831
local terms energy: -303.123340
where:
bonds (distance) C4'-P energy: -64.842
bonds (distance) P-C4' energy: -50.941
flat angles C4'-P-C4' energy: -69.062
flat angles P-C4'-P energy: -43.949
tors. eta vs tors. theta energy: -74.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -860.845573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.845573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.845573 (E_RNA)
where:
Base-Base interactions energy: -574.167
where: short stacking energy: -241.393
Base-Backbone interact. energy: -2.409
local terms energy: -284.269820
where:
bonds (distance) C4'-P energy: -57.943
bonds (distance) P-C4' energy: -61.210
flat angles C4'-P-C4' energy: -61.745
flat angles P-C4'-P energy: -43.004
tors. eta vs tors. theta energy: -60.367
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: 4
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -773.283792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.283792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.283792 (E_RNA)
where:
Base-Base interactions energy: -494.356
where: short stacking energy: -220.967
Base-Backbone interact. energy: 1.642
local terms energy: -280.570352
where:
bonds (distance) C4'-P energy: -58.518
bonds (distance) P-C4' energy: -63.180
flat angles C4'-P-C4' energy: -60.766
flat angles P-C4'-P energy: -43.861
tors. eta vs tors. theta energy: -54.246
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: 9
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -584.533167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.533167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.533167 (E_RNA)
where:
Base-Base interactions energy: -327.728
where: short stacking energy: -179.299
Base-Backbone interact. energy: -0.762
local terms energy: -256.043401
where:
bonds (distance) C4'-P energy: -65.366
bonds (distance) P-C4' energy: -50.689
flat angles C4'-P-C4' energy: -60.794
flat angles P-C4'-P energy: -46.528
tors. eta vs tors. theta energy: -32.666
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: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -445.168858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.168858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.168858 (E_RNA)
where:
Base-Base interactions energy: -223.403
where: short stacking energy: -145.288
Base-Backbone interact. energy: -1.577
local terms energy: -220.189335
where:
bonds (distance) C4'-P energy: -58.006
bonds (distance) P-C4' energy: -65.385
flat angles C4'-P-C4' energy: -48.209
flat angles P-C4'-P energy: -29.174
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -447.015032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.015032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.015032 (E_RNA)
where:
Base-Base interactions energy: -255.762
where: short stacking energy: -132.221
Base-Backbone interact. energy: 0.782
local terms energy: -192.035926
where:
bonds (distance) C4'-P energy: -45.909
bonds (distance) P-C4' energy: -58.807
flat angles C4'-P-C4' energy: -50.143
flat angles P-C4'-P energy: -28.966
tors. eta vs tors. theta energy: -8.211
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: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -269.802090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.802090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.802090 (E_RNA)
where:
Base-Base interactions energy: -103.594
where: short stacking energy: -95.103
Base-Backbone interact. energy: 1.495
local terms energy: -167.703101
where:
bonds (distance) C4'-P energy: -49.748
bonds (distance) P-C4' energy: -67.569
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -26.380
tors. eta vs tors. theta energy: 1.147
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: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -282.358882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.358882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.358882 (E_RNA)
where:
Base-Base interactions energy: -115.196
where: short stacking energy: -89.194
Base-Backbone interact. energy: -0.743
local terms energy: -166.420287
where:
bonds (distance) C4'-P energy: -33.673
bonds (distance) P-C4' energy: -57.392
flat angles C4'-P-C4' energy: -52.712
flat angles P-C4'-P energy: -31.579
tors. eta vs tors. theta energy: 8.935
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: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -983.789119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.789119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.789119 (E_RNA)
where:
Base-Base interactions energy: -651.971
where: short stacking energy: -307.301
Base-Backbone interact. energy: -1.110
local terms energy: -330.707911
where:
bonds (distance) C4'-P energy: -70.511
bonds (distance) P-C4' energy: -61.967
flat angles C4'-P-C4' energy: -68.157
flat angles P-C4'-P energy: -45.780
tors. eta vs tors. theta energy: -84.292
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: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -970.079548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.079548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.079548 (E_RNA)
where:
Base-Base interactions energy: -653.966
where: short stacking energy: -285.828
Base-Backbone interact. energy: 2.905
local terms energy: -319.018924
where:
bonds (distance) C4'-P energy: -65.181
bonds (distance) P-C4' energy: -67.077
flat angles C4'-P-C4' energy: -71.593
flat angles P-C4'-P energy: -45.072
tors. eta vs tors. theta energy: -70.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -901.968013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.968013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.968013 (E_RNA)
where:
Base-Base interactions energy: -603.541
where: short stacking energy: -283.664
Base-Backbone interact. energy: 0.890
local terms energy: -299.316949
where:
bonds (distance) C4'-P energy: -49.856
bonds (distance) P-C4' energy: -73.383
flat angles C4'-P-C4' energy: -69.230
flat angles P-C4'-P energy: -36.917
tors. eta vs tors. theta energy: -69.931
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: 8
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -882.562405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.562405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.562405 (E_RNA)
where:
Base-Base interactions energy: -590.133
where: short stacking energy: -247.560
Base-Backbone interact. energy: -1.167
local terms energy: -291.262541
where:
bonds (distance) C4'-P energy: -57.163
bonds (distance) P-C4' energy: -61.941
flat angles C4'-P-C4' energy: -62.910
flat angles P-C4'-P energy: -48.942
tors. eta vs tors. theta energy: -60.306
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: 4
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -737.674236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.674236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.674236 (E_RNA)
where:
Base-Base interactions energy: -481.735
where: short stacking energy: -218.409
Base-Backbone interact. energy: -1.244
local terms energy: -254.694919
where:
bonds (distance) C4'-P energy: -55.875
bonds (distance) P-C4' energy: -54.673
flat angles C4'-P-C4' energy: -64.457
flat angles P-C4'-P energy: -47.801
tors. eta vs tors. theta energy: -31.888
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: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -612.711817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.711817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.711817 (E_RNA)
where:
Base-Base interactions energy: -361.621
where: short stacking energy: -189.933
Base-Backbone interact. energy: 0.700
local terms energy: -251.790411
where:
bonds (distance) C4'-P energy: -54.802
bonds (distance) P-C4' energy: -56.305
flat angles C4'-P-C4' energy: -63.353
flat angles P-C4'-P energy: -30.614
tors. eta vs tors. theta energy: -46.716
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: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -467.058170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.058170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.058170 (E_RNA)
where:
Base-Base interactions energy: -249.091
where: short stacking energy: -139.896
Base-Backbone interact. energy: -1.098
local terms energy: -216.869414
where:
bonds (distance) C4'-P energy: -57.919
bonds (distance) P-C4' energy: -59.244
flat angles C4'-P-C4' energy: -53.352
flat angles P-C4'-P energy: -31.977
tors. eta vs tors. theta energy: -14.378
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: 8, replica: 3
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -491.862120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.862120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.862120 (E_RNA)
where:
Base-Base interactions energy: -276.443
where: short stacking energy: -143.302
Base-Backbone interact. energy: -1.089
local terms energy: -214.329653
where:
bonds (distance) C4'-P energy: -48.455
bonds (distance) P-C4' energy: -56.643
flat angles C4'-P-C4' energy: -45.171
flat angles P-C4'-P energy: -39.982
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -294.216104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.216104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.216104 (E_RNA)
where:
Base-Base interactions energy: -92.832
where: short stacking energy: -77.363
Base-Backbone interact. energy: -1.549
local terms energy: -201.751781
where:
bonds (distance) C4'-P energy: -60.664
bonds (distance) P-C4' energy: -57.198
flat angles C4'-P-C4' energy: -57.481
flat angles P-C4'-P energy: -32.522
tors. eta vs tors. theta energy: 6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.917 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -272.432424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.432424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.432424 (E_RNA)
where:
Base-Base interactions energy: -108.170
where: short stacking energy: -98.592
Base-Backbone interact. energy: -0.752
local terms energy: -163.509835
where:
bonds (distance) C4'-P energy: -49.300
bonds (distance) P-C4' energy: -70.721
flat angles C4'-P-C4' energy: -33.842
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: 4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -970.183732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.183732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.183732 (E_RNA)
where:
Base-Base interactions energy: -621.979
where: short stacking energy: -272.966
Base-Backbone interact. energy: -0.912
local terms energy: -347.292084
where:
bonds (distance) C4'-P energy: -67.404
bonds (distance) P-C4' energy: -72.558
flat angles C4'-P-C4' energy: -74.438
flat angles P-C4'-P energy: -49.074
tors. eta vs tors. theta energy: -83.817
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: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -940.837335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.837335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.837335 (E_RNA)
where:
Base-Base interactions energy: -625.779
where: short stacking energy: -278.411
Base-Backbone interact. energy: 0.697
local terms energy: -315.754883
where:
bonds (distance) C4'-P energy: -65.666
bonds (distance) P-C4' energy: -66.553
flat angles C4'-P-C4' energy: -68.129
flat angles P-C4'-P energy: -47.543
tors. eta vs tors. theta energy: -67.864
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: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -913.209129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.209129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.209129 (E_RNA)
where:
Base-Base interactions energy: -577.656
where: short stacking energy: -277.274
Base-Backbone interact. energy: -1.400
local terms energy: -334.153121
where:
bonds (distance) C4'-P energy: -58.482
bonds (distance) P-C4' energy: -66.358
flat angles C4'-P-C4' energy: -68.723
flat angles P-C4'-P energy: -56.332
tors. eta vs tors. theta energy: -84.259
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: 4, replica: 8
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -889.583170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.583170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.583170 (E_RNA)
where:
Base-Base interactions energy: -596.905
where: short stacking energy: -262.293
Base-Backbone interact. energy: -2.731
local terms energy: -289.947879
where:
bonds (distance) C4'-P energy: -58.875
bonds (distance) P-C4' energy: -57.442
flat angles C4'-P-C4' energy: -66.037
flat angles P-C4'-P energy: -47.847
tors. eta vs tors. theta energy: -59.747
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: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -755.424957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.424957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.424957 (E_RNA)
where:
Base-Base interactions energy: -484.946
where: short stacking energy: -218.714
Base-Backbone interact. energy: 0.986
local terms energy: -271.464746
where:
bonds (distance) C4'-P energy: -54.453
bonds (distance) P-C4' energy: -56.809
flat angles C4'-P-C4' energy: -59.062
flat angles P-C4'-P energy: -48.182
tors. eta vs tors. theta energy: -52.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -614.751600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.751600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.751600 (E_RNA)
where:
Base-Base interactions energy: -389.963
where: short stacking energy: -186.656
Base-Backbone interact. energy: -2.198
local terms energy: -222.590583
where:
bonds (distance) C4'-P energy: -54.191
bonds (distance) P-C4' energy: -53.707
flat angles C4'-P-C4' energy: -46.934
flat angles P-C4'-P energy: -35.155
tors. eta vs tors. theta energy: -32.604
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: 7, replica: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -541.076998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.076998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.076998 (E_RNA)
where:
Base-Base interactions energy: -312.642
where: short stacking energy: -169.742
Base-Backbone interact. energy: -1.504
local terms energy: -226.930954
where:
bonds (distance) C4'-P energy: -55.433
bonds (distance) P-C4' energy: -60.589
flat angles C4'-P-C4' energy: -56.715
flat angles P-C4'-P energy: -30.094
tors. eta vs tors. theta energy: -24.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -381.536474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.536474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.536474 (E_RNA)
where:
Base-Base interactions energy: -178.166
where: short stacking energy: -110.984
Base-Backbone interact. energy: -0.867
local terms energy: -202.503170
where:
bonds (distance) C4'-P energy: -54.473
bonds (distance) P-C4' energy: -61.789
flat angles C4'-P-C4' energy: -46.946
flat angles P-C4'-P energy: -29.012
tors. eta vs tors. theta energy: -10.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -291.021542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.021542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.021542 (E_RNA)
where:
Base-Base interactions energy: -89.213
where: short stacking energy: -78.683
Base-Backbone interact. energy: 2.004
local terms energy: -203.812535
where:
bonds (distance) C4'-P energy: -64.732
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -58.782
flat angles P-C4'-P energy: -35.872
tors. eta vs tors. theta energy: 7.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -270.195700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.195700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.195700 (E_RNA)
where:
Base-Base interactions energy: -86.608
where: short stacking energy: -68.327
Base-Backbone interact. energy: -0.441
local terms energy: -183.147571
where:
bonds (distance) C4'-P energy: -56.780
bonds (distance) P-C4' energy: -60.879
flat angles C4'-P-C4' energy: -47.379
flat angles P-C4'-P energy: -23.443
tors. eta vs tors. theta energy: 5.334
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: 2
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -999.445630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.445630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.445630 (E_RNA)
where:
Base-Base interactions energy: -657.626
where: short stacking energy: -296.576
Base-Backbone interact. energy: -3.579
local terms energy: -338.240755
where:
bonds (distance) C4'-P energy: -65.472
bonds (distance) P-C4' energy: -75.443
flat angles C4'-P-C4' energy: -69.897
flat angles P-C4'-P energy: -51.855
tors. eta vs tors. theta energy: -75.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -900.047770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.047770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.047770 (E_RNA)
where:
Base-Base interactions energy: -586.460
where: short stacking energy: -262.868
Base-Backbone interact. energy: 0.533
local terms energy: -314.120908
where:
bonds (distance) C4'-P energy: -60.186
bonds (distance) P-C4' energy: -69.269
flat angles C4'-P-C4' energy: -72.873
flat angles P-C4'-P energy: -52.265
tors. eta vs tors. theta energy: -59.527
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: 3, replica: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -904.155628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.155628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.155628 (E_RNA)
where:
Base-Base interactions energy: -588.162
where: short stacking energy: -287.562
Base-Backbone interact. energy: 0.098
local terms energy: -316.091017
where:
bonds (distance) C4'-P energy: -58.758
bonds (distance) P-C4' energy: -62.028
flat angles C4'-P-C4' energy: -70.705
flat angles P-C4'-P energy: -41.118
tors. eta vs tors. theta energy: -83.481
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: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -902.579897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.579897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.579897 (E_RNA)
where:
Base-Base interactions energy: -616.588
where: short stacking energy: -259.149
Base-Backbone interact. energy: -0.790
local terms energy: -285.202563
where:
bonds (distance) C4'-P energy: -50.075
bonds (distance) P-C4' energy: -56.247
flat angles C4'-P-C4' energy: -68.874
flat angles P-C4'-P energy: -45.611
tors. eta vs tors. theta energy: -64.396
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: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -768.014169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.014169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.014169 (E_RNA)
where:
Base-Base interactions energy: -479.369
where: short stacking energy: -225.369
Base-Backbone interact. energy: -1.036
local terms energy: -287.608469
where:
bonds (distance) C4'-P energy: -61.462
bonds (distance) P-C4' energy: -67.372
flat angles C4'-P-C4' energy: -60.480
flat angles P-C4'-P energy: -41.954
tors. eta vs tors. theta energy: -56.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -573.590348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.590348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.590348 (E_RNA)
where:
Base-Base interactions energy: -331.661
where: short stacking energy: -167.747
Base-Backbone interact. energy: 0.140
local terms energy: -242.070025
where:
bonds (distance) C4'-P energy: -55.278
bonds (distance) P-C4' energy: -58.731
flat angles C4'-P-C4' energy: -61.824
flat angles P-C4'-P energy: -30.783
tors. eta vs tors. theta energy: -35.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -554.322018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.322018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.322018 (E_RNA)
where:
Base-Base interactions energy: -336.808
where: short stacking energy: -166.217
Base-Backbone interact. energy: 1.561
local terms energy: -219.074973
where:
bonds (distance) C4'-P energy: -58.097
bonds (distance) P-C4' energy: -53.359
flat angles C4'-P-C4' energy: -59.450
flat angles P-C4'-P energy: -27.213
tors. eta vs tors. theta energy: -20.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -416.613387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.613387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.613387 (E_RNA)
where:
Base-Base interactions energy: -209.286
where: short stacking energy: -137.890
Base-Backbone interact. energy: -0.833
local terms energy: -206.494385
where:
bonds (distance) C4'-P energy: -55.824
bonds (distance) P-C4' energy: -56.579
flat angles C4'-P-C4' energy: -56.412
flat angles P-C4'-P energy: -24.055
tors. eta vs tors. theta energy: -13.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -288.930583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.930583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.930583 (E_RNA)
where:
Base-Base interactions energy: -122.519
where: short stacking energy: -102.222
Base-Backbone interact. energy: -1.861
local terms energy: -164.550544
where:
bonds (distance) C4'-P energy: -50.299
bonds (distance) P-C4' energy: -44.137
flat angles C4'-P-C4' energy: -45.505
flat angles P-C4'-P energy: -23.636
tors. eta vs tors. theta energy: -0.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -288.284434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.284434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.284434 (E_RNA)
where:
Base-Base interactions energy: -112.927
where: short stacking energy: -85.963
Base-Backbone interact. energy: -0.560
local terms energy: -174.797278
where:
bonds (distance) C4'-P energy: -51.021
bonds (distance) P-C4' energy: -62.965
flat angles C4'-P-C4' energy: -45.877
flat angles P-C4'-P energy: -23.059
tors. eta vs tors. theta energy: 8.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1004.289845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.289845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.289845 (E_RNA)
where:
Base-Base interactions energy: -671.661
where: short stacking energy: -289.890
Base-Backbone interact. energy: -0.970
local terms energy: -331.659410
where:
bonds (distance) C4'-P energy: -69.989
bonds (distance) P-C4' energy: -66.461
flat angles C4'-P-C4' energy: -68.728
flat angles P-C4'-P energy: -44.800
tors. eta vs tors. theta energy: -81.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -938.770272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.770272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.770272 (E_RNA)
where:
Base-Base interactions energy: -634.217
where: short stacking energy: -274.492
Base-Backbone interact. energy: -1.752
local terms energy: -302.801929
where:
bonds (distance) C4'-P energy: -63.292
bonds (distance) P-C4' energy: -66.785
flat angles C4'-P-C4' energy: -62.434
flat angles P-C4'-P energy: -41.061
tors. eta vs tors. theta energy: -69.230
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: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -931.269197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.269197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.269197 (E_RNA)
where:
Base-Base interactions energy: -628.894
where: short stacking energy: -271.010
Base-Backbone interact. energy: -1.099
local terms energy: -301.275600
where:
bonds (distance) C4'-P energy: -59.179
bonds (distance) P-C4' energy: -59.456
flat angles C4'-P-C4' energy: -64.591
flat angles P-C4'-P energy: -48.615
tors. eta vs tors. theta energy: -69.435
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: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -895.637208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.637208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.637208 (E_RNA)
where:
Base-Base interactions energy: -582.106
where: short stacking energy: -273.481
Base-Backbone interact. energy: -0.350
local terms energy: -313.181997
where:
bonds (distance) C4'-P energy: -62.973
bonds (distance) P-C4' energy: -62.658
flat angles C4'-P-C4' energy: -63.637
flat angles P-C4'-P energy: -46.788
tors. eta vs tors. theta energy: -77.125
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: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -799.582986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.582986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.582986 (E_RNA)
where:
Base-Base interactions energy: -521.771
where: short stacking energy: -255.209
Base-Backbone interact. energy: 0.409
local terms energy: -278.220987
where:
bonds (distance) C4'-P energy: -48.246
bonds (distance) P-C4' energy: -66.812
flat angles C4'-P-C4' energy: -61.858
flat angles P-C4'-P energy: -33.380
tors. eta vs tors. theta energy: -67.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -584.206155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.206155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.206155 (E_RNA)
where:
Base-Base interactions energy: -341.609
where: short stacking energy: -175.686
Base-Backbone interact. energy: -0.860
local terms energy: -241.736703
where:
bonds (distance) C4'-P energy: -45.282
bonds (distance) P-C4' energy: -65.673
flat angles C4'-P-C4' energy: -68.456
flat angles P-C4'-P energy: -26.463
tors. eta vs tors. theta energy: -35.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -573.992546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.992546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.992546 (E_RNA)
where:
Base-Base interactions energy: -358.126
where: short stacking energy: -171.720
Base-Backbone interact. energy: 0.878
local terms energy: -216.744895
where:
bonds (distance) C4'-P energy: -58.314
bonds (distance) P-C4' energy: -56.318
flat angles C4'-P-C4' energy: -43.321
flat angles P-C4'-P energy: -37.950
tors. eta vs tors. theta energy: -20.841
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: 10
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -397.365530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.365530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.365530 (E_RNA)
where:
Base-Base interactions energy: -198.998
where: short stacking energy: -123.941
Base-Backbone interact. energy: 0.752
local terms energy: -199.119833
where:
bonds (distance) C4'-P energy: -49.073
bonds (distance) P-C4' energy: -58.739
flat angles C4'-P-C4' energy: -58.395
flat angles P-C4'-P energy: -18.300
tors. eta vs tors. theta energy: -14.613
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: 9, replica: 5
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -286.789725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.789725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.789725 (E_RNA)
where:
Base-Base interactions energy: -94.642
where: short stacking energy: -87.004
Base-Backbone interact. energy: -2.210
local terms energy: -189.937841
where:
bonds (distance) C4'-P energy: -60.953
bonds (distance) P-C4' energy: -58.967
flat angles C4'-P-C4' energy: -40.970
flat angles P-C4'-P energy: -29.555
tors. eta vs tors. theta energy: 0.508
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: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -306.876258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.876258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.876258 (E_RNA)
where:
Base-Base interactions energy: -116.573
where: short stacking energy: -89.118
Base-Backbone interact. energy: -0.770
local terms energy: -189.533767
where:
bonds (distance) C4'-P energy: -46.401
bonds (distance) P-C4' energy: -60.821
flat angles C4'-P-C4' energy: -54.890
flat angles P-C4'-P energy: -33.194
tors. eta vs tors. theta energy: 5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1016.784729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.784729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.784729 (E_RNA)
where:
Base-Base interactions energy: -674.852
where: short stacking energy: -292.725
Base-Backbone interact. energy: -3.332
local terms energy: -338.600235
where:
bonds (distance) C4'-P energy: -66.347
bonds (distance) P-C4' energy: -64.885
flat angles C4'-P-C4' energy: -80.237
flat angles P-C4'-P energy: -48.371
tors. eta vs tors. theta energy: -78.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -958.382322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.382322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.382322 (E_RNA)
where:
Base-Base interactions energy: -637.233
where: short stacking energy: -281.650
Base-Backbone interact. energy: -5.584
local terms energy: -315.565844
where:
bonds (distance) C4'-P energy: -59.245
bonds (distance) P-C4' energy: -58.844
flat angles C4'-P-C4' energy: -74.277
flat angles P-C4'-P energy: -49.432
tors. eta vs tors. theta energy: -73.769
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: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -913.204077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.204077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.204077 (E_RNA)
where:
Base-Base interactions energy: -611.191
where: short stacking energy: -262.060
Base-Backbone interact. energy: -1.300
local terms energy: -300.712811
where:
bonds (distance) C4'-P energy: -57.894
bonds (distance) P-C4' energy: -63.863
flat angles C4'-P-C4' energy: -69.189
flat angles P-C4'-P energy: -41.005
tors. eta vs tors. theta energy: -68.762
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: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -895.279847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.279847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.279847 (E_RNA)
where:
Base-Base interactions energy: -578.794
where: short stacking energy: -285.196
Base-Backbone interact. energy: -2.343
local terms energy: -314.142975
where:
bonds (distance) C4'-P energy: -58.640
bonds (distance) P-C4' energy: -61.697
flat angles C4'-P-C4' energy: -67.517
flat angles P-C4'-P energy: -42.672
tors. eta vs tors. theta energy: -83.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -773.768033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.768033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.768033 (E_RNA)
where:
Base-Base interactions energy: -499.069
where: short stacking energy: -250.072
Base-Backbone interact. energy: 4.900
local terms energy: -279.719819
where:
bonds (distance) C4'-P energy: -48.145
bonds (distance) P-C4' energy: -60.357
flat angles C4'-P-C4' energy: -63.811
flat angles P-C4'-P energy: -43.465
tors. eta vs tors. theta energy: -63.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.121 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -616.608770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.608770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.608770 (E_RNA)
where:
Base-Base interactions energy: -363.501
where: short stacking energy: -199.231
Base-Backbone interact. energy: 0.261
local terms energy: -253.369651
where:
bonds (distance) C4'-P energy: -64.343
bonds (distance) P-C4' energy: -64.130
flat angles C4'-P-C4' energy: -55.424
flat angles P-C4'-P energy: -35.103
tors. eta vs tors. theta energy: -34.371
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: 7, replica: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -530.840920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.840920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.840920 (E_RNA)
where:
Base-Base interactions energy: -306.242
where: short stacking energy: -153.286
Base-Backbone interact. energy: 0.624
local terms energy: -225.222876
where:
bonds (distance) C4'-P energy: -60.398
bonds (distance) P-C4' energy: -59.511
flat angles C4'-P-C4' energy: -49.876
flat angles P-C4'-P energy: -22.019
tors. eta vs tors. theta energy: -33.419
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: 10
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -388.781693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.781693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.781693 (E_RNA)
where:
Base-Base interactions energy: -173.604
where: short stacking energy: -99.656
Base-Backbone interact. energy: 1.566
local terms energy: -216.744337
where:
bonds (distance) C4'-P energy: -62.788
bonds (distance) P-C4' energy: -68.838
flat angles C4'-P-C4' energy: -55.663
flat angles P-C4'-P energy: -27.469
tors. eta vs tors. theta energy: -1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -283.712330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.712330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.712330 (E_RNA)
where:
Base-Base interactions energy: -101.909
where: short stacking energy: -83.252
Base-Backbone interact. energy: -3.020
local terms energy: -178.782936
where:
bonds (distance) C4'-P energy: -52.748
bonds (distance) P-C4' energy: -54.307
flat angles C4'-P-C4' energy: -56.572
flat angles P-C4'-P energy: -29.241
tors. eta vs tors. theta energy: 14.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -312.144254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.144254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.144254 (E_RNA)
where:
Base-Base interactions energy: -121.047
where: short stacking energy: -103.004
Base-Backbone interact. energy: 0.637
local terms energy: -191.733957
where:
bonds (distance) C4'-P energy: -54.025
bonds (distance) P-C4' energy: -58.027
flat angles C4'-P-C4' energy: -50.160
flat angles P-C4'-P energy: -31.102
tors. eta vs tors. theta energy: 1.581
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: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -984.180206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.180206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.180206 (E_RNA)
where:
Base-Base interactions energy: -664.817
where: short stacking energy: -278.569
Base-Backbone interact. energy: -1.103
local terms energy: -318.259919
where:
bonds (distance) C4'-P energy: -70.383
bonds (distance) P-C4' energy: -66.791
flat angles C4'-P-C4' energy: -63.796
flat angles P-C4'-P energy: -45.775
tors. eta vs tors. theta energy: -71.515
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: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -934.814684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.814684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.814684 (E_RNA)
where:
Base-Base interactions energy: -597.890
where: short stacking energy: -284.694
Base-Backbone interact. energy: -1.609
local terms energy: -335.315221
where:
bonds (distance) C4'-P energy: -70.885
bonds (distance) P-C4' energy: -73.005
flat angles C4'-P-C4' energy: -69.729
flat angles P-C4'-P energy: -37.784
tors. eta vs tors. theta energy: -83.913
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: 3, replica: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -908.282034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.282034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.282034 (E_RNA)
where:
Base-Base interactions energy: -604.254
where: short stacking energy: -256.012
Base-Backbone interact. energy: -2.480
local terms energy: -301.548028
where:
bonds (distance) C4'-P energy: -68.175
bonds (distance) P-C4' energy: -55.326
flat angles C4'-P-C4' energy: -66.836
flat angles P-C4'-P energy: -48.110
tors. eta vs tors. theta energy: -63.101
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: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -878.920472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.920472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.920472 (E_RNA)
where:
Base-Base interactions energy: -562.664
where: short stacking energy: -266.397
Base-Backbone interact. energy: -1.158
local terms energy: -315.098048
where:
bonds (distance) C4'-P energy: -54.113
bonds (distance) P-C4' energy: -67.252
flat angles C4'-P-C4' energy: -66.925
flat angles P-C4'-P energy: -41.697
tors. eta vs tors. theta energy: -85.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -775.041877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.041877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.041877 (E_RNA)
where:
Base-Base interactions energy: -488.119
where: short stacking energy: -247.581
Base-Backbone interact. energy: -1.162
local terms energy: -285.760805
where:
bonds (distance) C4'-P energy: -57.641
bonds (distance) P-C4' energy: -61.450
flat angles C4'-P-C4' energy: -70.452
flat angles P-C4'-P energy: -34.538
tors. eta vs tors. theta energy: -61.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -581.863033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.863033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.863033 (E_RNA)
where:
Base-Base interactions energy: -355.044
where: short stacking energy: -174.769
Base-Backbone interact. energy: 0.104
local terms energy: -226.923615
where:
bonds (distance) C4'-P energy: -62.887
bonds (distance) P-C4' energy: -52.895
flat angles C4'-P-C4' energy: -59.550
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -31.179
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: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -509.609623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.609623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.609623 (E_RNA)
where:
Base-Base interactions energy: -292.609
where: short stacking energy: -142.694
Base-Backbone interact. energy: -0.912
local terms energy: -216.088893
where:
bonds (distance) C4'-P energy: -58.421
bonds (distance) P-C4' energy: -57.507
flat angles C4'-P-C4' energy: -52.859
flat angles P-C4'-P energy: -26.748
tors. eta vs tors. theta energy: -20.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -376.892607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.892607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.892607 (E_RNA)
where:
Base-Base interactions energy: -187.732
where: short stacking energy: -105.412
Base-Backbone interact. energy: 4.199
local terms energy: -193.359808
where:
bonds (distance) C4'-P energy: -62.478
bonds (distance) P-C4' energy: -62.773
flat angles C4'-P-C4' energy: -42.635
flat angles P-C4'-P energy: -26.987
tors. eta vs tors. theta energy: 1.512
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: 70
Temperature: 1.300000
Total energy: -290.441859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.441859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.441859 (E_RNA)
where:
Base-Base interactions energy: -109.040
where: short stacking energy: -86.191
Base-Backbone interact. energy: 1.110
local terms energy: -182.511774
where:
bonds (distance) C4'-P energy: -52.106
bonds (distance) P-C4' energy: -58.155
flat angles C4'-P-C4' energy: -47.374
flat angles P-C4'-P energy: -30.608
tors. eta vs tors. theta energy: 5.731
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: 10, replica: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -268.339013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.339013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.339013 (E_RNA)
where:
Base-Base interactions energy: -81.362
where: short stacking energy: -73.879
Base-Backbone interact. energy: -0.650
local terms energy: -186.327315
where:
bonds (distance) C4'-P energy: -55.874
bonds (distance) P-C4' energy: -49.217
flat angles C4'-P-C4' energy: -54.914
flat angles P-C4'-P energy: -31.345
tors. eta vs tors. theta energy: 5.022
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: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -981.075641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.075641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.075641 (E_RNA)
where:
Base-Base interactions energy: -650.488
where: short stacking energy: -295.915
Base-Backbone interact. energy: -2.761
local terms energy: -327.826922
where:
bonds (distance) C4'-P energy: -61.328
bonds (distance) P-C4' energy: -64.723
flat angles C4'-P-C4' energy: -66.058
flat angles P-C4'-P energy: -50.099
tors. eta vs tors. theta energy: -85.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -965.822633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.822633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.822633 (E_RNA)
where:
Base-Base interactions energy: -663.729
where: short stacking energy: -293.726
Base-Backbone interact. energy: 0.203
local terms energy: -302.296889
where:
bonds (distance) C4'-P energy: -61.083
bonds (distance) P-C4' energy: -53.615
flat angles C4'-P-C4' energy: -67.552
flat angles P-C4'-P energy: -40.771
tors. eta vs tors. theta energy: -79.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -954.216513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.216513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.216513 (E_RNA)
where:
Base-Base interactions energy: -652.031
where: short stacking energy: -285.397
Base-Backbone interact. energy: -2.641
local terms energy: -299.544441
where:
bonds (distance) C4'-P energy: -71.665
bonds (distance) P-C4' energy: -62.627
flat angles C4'-P-C4' energy: -63.670
flat angles P-C4'-P energy: -31.899
tors. eta vs tors. theta energy: -69.684
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: 1
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -880.858446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.858446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.858446 (E_RNA)
where:
Base-Base interactions energy: -569.676
where: short stacking energy: -269.356
Base-Backbone interact. energy: -1.043
local terms energy: -310.140200
where:
bonds (distance) C4'-P energy: -60.196
bonds (distance) P-C4' energy: -55.769
flat angles C4'-P-C4' energy: -71.308
flat angles P-C4'-P energy: -45.529
tors. eta vs tors. theta energy: -77.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -768.534730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.534730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.534730 (E_RNA)
where:
Base-Base interactions energy: -498.469
where: short stacking energy: -221.082
Base-Backbone interact. energy: -0.562
local terms energy: -269.504326
where:
bonds (distance) C4'-P energy: -49.586
bonds (distance) P-C4' energy: -57.835
flat angles C4'-P-C4' energy: -64.378
flat angles P-C4'-P energy: -37.498
tors. eta vs tors. theta energy: -60.208
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: 3
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -670.225418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.225418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.225418 (E_RNA)
where:
Base-Base interactions energy: -409.220
where: short stacking energy: -193.549
Base-Backbone interact. energy: -3.092
local terms energy: -257.913166
where:
bonds (distance) C4'-P energy: -50.685
bonds (distance) P-C4' energy: -63.572
flat angles C4'-P-C4' energy: -60.155
flat angles P-C4'-P energy: -31.235
tors. eta vs tors. theta energy: -52.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -524.041121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.041121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.041121 (E_RNA)
where:
Base-Base interactions energy: -305.285
where: short stacking energy: -155.481
Base-Backbone interact. energy: 4.675
local terms energy: -223.431171
where:
bonds (distance) C4'-P energy: -53.622
bonds (distance) P-C4' energy: -59.385
flat angles C4'-P-C4' energy: -61.337
flat angles P-C4'-P energy: -26.773
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -375.522825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.522825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.522825 (E_RNA)
where:
Base-Base interactions energy: -200.935
where: short stacking energy: -124.206
Base-Backbone interact. energy: 1.192
local terms energy: -175.780230
where:
bonds (distance) C4'-P energy: -49.917
bonds (distance) P-C4' energy: -61.644
flat angles C4'-P-C4' energy: -35.619
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -8.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -301.872582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.872582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.872582 (E_RNA)
where:
Base-Base interactions energy: -124.447
where: short stacking energy: -102.106
Base-Backbone interact. energy: 2.097
local terms energy: -179.523016
where:
bonds (distance) C4'-P energy: -46.199
bonds (distance) P-C4' energy: -56.824
flat angles C4'-P-C4' energy: -55.462
flat angles P-C4'-P energy: -21.615
tors. eta vs tors. theta energy: 0.576
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: 10, replica: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -264.881805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.881805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.881805 (E_RNA)
where:
Base-Base interactions energy: -85.695
where: short stacking energy: -71.038
Base-Backbone interact. energy: 1.900
local terms energy: -181.086044
where:
bonds (distance) C4'-P energy: -54.344
bonds (distance) P-C4' energy: -47.596
flat angles C4'-P-C4' energy: -50.912
flat angles P-C4'-P energy: -35.114
tors. eta vs tors. theta energy: 6.879
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: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -995.897506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.897506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.897506 (E_RNA)
where:
Base-Base interactions energy: -673.543
where: short stacking energy: -286.785
Base-Backbone interact. energy: -1.113
local terms energy: -321.241938
where:
bonds (distance) C4'-P energy: -60.486
bonds (distance) P-C4' energy: -59.101
flat angles C4'-P-C4' energy: -68.303
flat angles P-C4'-P energy: -49.883
tors. eta vs tors. theta energy: -83.469
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: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -969.497897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.497897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.497897 (E_RNA)
where:
Base-Base interactions energy: -663.222
where: short stacking energy: -283.918
Base-Backbone interact. energy: 6.265
local terms energy: -312.541347
where:
bonds (distance) C4'-P energy: -69.595
bonds (distance) P-C4' energy: -64.908
flat angles C4'-P-C4' energy: -62.394
flat angles P-C4'-P energy: -46.187
tors. eta vs tors. theta energy: -69.458
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: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -935.157338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.157338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.157338 (E_RNA)
where:
Base-Base interactions energy: -640.956
where: short stacking energy: -286.343
Base-Backbone interact. energy: -1.605
local terms energy: -292.596676
where:
bonds (distance) C4'-P energy: -60.219
bonds (distance) P-C4' energy: -47.581
flat angles C4'-P-C4' energy: -62.594
flat angles P-C4'-P energy: -51.221
tors. eta vs tors. theta energy: -70.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -853.930907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.930907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.930907 (E_RNA)
where:
Base-Base interactions energy: -553.257
where: short stacking energy: -256.746
Base-Backbone interact. energy: -1.353
local terms energy: -299.321139
where:
bonds (distance) C4'-P energy: -53.308
bonds (distance) P-C4' energy: -63.511
flat angles C4'-P-C4' energy: -64.133
flat angles P-C4'-P energy: -38.828
tors. eta vs tors. theta energy: -79.542
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: 5, replica: 4
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -757.558244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.558244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.558244 (E_RNA)
where:
Base-Base interactions energy: -488.259
where: short stacking energy: -221.051
Base-Backbone interact. energy: -1.174
local terms energy: -268.125562
where:
bonds (distance) C4'-P energy: -61.815
bonds (distance) P-C4' energy: -62.894
flat angles C4'-P-C4' energy: -51.039
flat angles P-C4'-P energy: -43.296
tors. eta vs tors. theta energy: -49.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -672.406815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.406815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.406815 (E_RNA)
where:
Base-Base interactions energy: -434.467
where: short stacking energy: -203.541
Base-Backbone interact. energy: -0.826
local terms energy: -237.113865
where:
bonds (distance) C4'-P energy: -54.789
bonds (distance) P-C4' energy: -59.421
flat angles C4'-P-C4' energy: -48.319
flat angles P-C4'-P energy: -25.418
tors. eta vs tors. theta energy: -49.168
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: 7, replica: 9
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -538.867894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.867894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.867894 (E_RNA)
where:
Base-Base interactions energy: -313.754
where: short stacking energy: -158.591
Base-Backbone interact. energy: 0.617
local terms energy: -225.730321
where:
bonds (distance) C4'-P energy: -53.550
bonds (distance) P-C4' energy: -53.224
flat angles C4'-P-C4' energy: -63.093
flat angles P-C4'-P energy: -40.398
tors. eta vs tors. theta energy: -15.466
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: 8, replica: 10
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -357.702236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.702236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.702236 (E_RNA)
where:
Base-Base interactions energy: -151.440
where: short stacking energy: -91.238
Base-Backbone interact. energy: -1.513
local terms energy: -204.749374
where:
bonds (distance) C4'-P energy: -57.118
bonds (distance) P-C4' energy: -64.296
flat angles C4'-P-C4' energy: -48.343
flat angles P-C4'-P energy: -34.185
tors. eta vs tors. theta energy: -0.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -305.546665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.546665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.546665 (E_RNA)
where:
Base-Base interactions energy: -105.160
where: short stacking energy: -92.877
Base-Backbone interact. energy: 0.499
local terms energy: -200.885762
where:
bonds (distance) C4'-P energy: -58.016
bonds (distance) P-C4' energy: -45.062
flat angles C4'-P-C4' energy: -57.054
flat angles P-C4'-P energy: -33.097
tors. eta vs tors. theta energy: -7.657
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: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -253.702331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.702331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.702331 (E_RNA)
where:
Base-Base interactions energy: -102.331
where: short stacking energy: -76.510
Base-Backbone interact. energy: -0.870
local terms energy: -150.500924
where:
bonds (distance) C4'-P energy: -46.787
bonds (distance) P-C4' energy: -45.392
flat angles C4'-P-C4' energy: -37.992
flat angles P-C4'-P energy: -28.400
tors. eta vs tors. theta energy: 8.070
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: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1036.169139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.169139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.169139 (E_RNA)
where:
Base-Base interactions energy: -684.358
where: short stacking energy: -296.699
Base-Backbone interact. energy: -1.179
local terms energy: -350.631886
where:
bonds (distance) C4'-P energy: -65.113
bonds (distance) P-C4' energy: -69.494
flat angles C4'-P-C4' energy: -78.988
flat angles P-C4'-P energy: -51.838
tors. eta vs tors. theta energy: -85.199
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: 2, replica: 8
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -991.924279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.924279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.924279 (E_RNA)
where:
Base-Base interactions energy: -660.887
where: short stacking energy: -287.904
Base-Backbone interact. energy: -2.553
local terms energy: -328.483982
where:
bonds (distance) C4'-P energy: -58.796
bonds (distance) P-C4' energy: -65.877
flat angles C4'-P-C4' energy: -74.284
flat angles P-C4'-P energy: -47.629
tors. eta vs tors. theta energy: -81.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -928.031864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.031864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.031864 (E_RNA)
where:
Base-Base interactions energy: -614.090
where: short stacking energy: -259.132
Base-Backbone interact. energy: -3.103
local terms energy: -310.838591
where:
bonds (distance) C4'-P energy: -62.207
bonds (distance) P-C4' energy: -63.453
flat angles C4'-P-C4' energy: -61.219
flat angles P-C4'-P energy: -55.398
tors. eta vs tors. theta energy: -68.562
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: 4
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -818.875539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.875539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.875539 (E_RNA)
where:
Base-Base interactions energy: -548.081
where: short stacking energy: -243.997
Base-Backbone interact. energy: -2.073
local terms energy: -268.721159
where:
bonds (distance) C4'-P energy: -57.681
bonds (distance) P-C4' energy: -54.577
flat angles C4'-P-C4' energy: -61.420
flat angles P-C4'-P energy: -39.180
tors. eta vs tors. theta energy: -55.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -795.165018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.165018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.165018 (E_RNA)
where:
Base-Base interactions energy: -502.424
where: short stacking energy: -228.606
Base-Backbone interact. energy: 0.649
local terms energy: -293.389578
where:
bonds (distance) C4'-P energy: -49.956
bonds (distance) P-C4' energy: -71.092
flat angles C4'-P-C4' energy: -61.297
flat angles P-C4'-P energy: -51.697
tors. eta vs tors. theta energy: -59.348
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: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -629.179180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.179180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.179180 (E_RNA)
where:
Base-Base interactions energy: -363.487
where: short stacking energy: -191.993
Base-Backbone interact. energy: -2.309
local terms energy: -263.383292
where:
bonds (distance) C4'-P energy: -62.382
bonds (distance) P-C4' energy: -70.147
flat angles C4'-P-C4' energy: -62.305
flat angles P-C4'-P energy: -34.031
tors. eta vs tors. theta energy: -34.518
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: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -601.721987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.721987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.721987 (E_RNA)
where:
Base-Base interactions energy: -379.409
where: short stacking energy: -181.521
Base-Backbone interact. energy: -2.132
local terms energy: -220.180749
where:
bonds (distance) C4'-P energy: -51.790
bonds (distance) P-C4' energy: -46.919
flat angles C4'-P-C4' energy: -60.406
flat angles P-C4'-P energy: -35.551
tors. eta vs tors. theta energy: -25.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -439.803872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.803872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.803872 (E_RNA)
where:
Base-Base interactions energy: -243.298
where: short stacking energy: -114.626
Base-Backbone interact. energy: -0.036
local terms energy: -196.469585
where:
bonds (distance) C4'-P energy: -57.725
bonds (distance) P-C4' energy: -45.862
flat angles C4'-P-C4' energy: -46.745
flat angles P-C4'-P energy: -28.751
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: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -290.450860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.450860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.450860 (E_RNA)
where:
Base-Base interactions energy: -108.399
where: short stacking energy: -86.561
Base-Backbone interact. energy: -1.167
local terms energy: -180.884502
where:
bonds (distance) C4'-P energy: -58.841
bonds (distance) P-C4' energy: -56.816
flat angles C4'-P-C4' energy: -34.869
flat angles P-C4'-P energy: -28.348
tors. eta vs tors. theta energy: -2.011
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: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -296.690249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.690249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.690249 (E_RNA)
where:
Base-Base interactions energy: -107.369
where: short stacking energy: -99.629
Base-Backbone interact. energy: 1.011
local terms energy: -190.331551
where:
bonds (distance) C4'-P energy: -60.598
bonds (distance) P-C4' energy: -58.365
flat angles C4'-P-C4' energy: -41.293
flat angles P-C4'-P energy: -32.352
tors. eta vs tors. theta energy: 2.276
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: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1038.907908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.907908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.907908 (E_RNA)
where:
Base-Base interactions energy: -694.828
where: short stacking energy: -300.730
Base-Backbone interact. energy: -3.254
local terms energy: -340.825968
where:
bonds (distance) C4'-P energy: -70.984
bonds (distance) P-C4' energy: -63.017
flat angles C4'-P-C4' energy: -75.732
flat angles P-C4'-P energy: -48.742
tors. eta vs tors. theta energy: -82.351
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: 8
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -977.531277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.531277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.531277 (E_RNA)
where:
Base-Base interactions energy: -669.148
where: short stacking energy: -287.899
Base-Backbone interact. energy: -1.702
local terms energy: -306.681358
where:
bonds (distance) C4'-P energy: -63.452
bonds (distance) P-C4' energy: -56.853
flat angles C4'-P-C4' energy: -68.426
flat angles P-C4'-P energy: -44.263
tors. eta vs tors. theta energy: -73.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -956.461134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.461134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.461134 (E_RNA)
where:
Base-Base interactions energy: -648.533
where: short stacking energy: -285.905
Base-Backbone interact. energy: -2.005
local terms energy: -305.923803
where:
bonds (distance) C4'-P energy: -58.787
bonds (distance) P-C4' energy: -69.523
flat angles C4'-P-C4' energy: -66.302
flat angles P-C4'-P energy: -36.181
tors. eta vs tors. theta energy: -75.130
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: 4
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -789.840069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.840069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.840069 (E_RNA)
where:
Base-Base interactions energy: -509.157
where: short stacking energy: -235.248
Base-Backbone interact. energy: -0.903
local terms energy: -279.780606
where:
bonds (distance) C4'-P energy: -55.910
bonds (distance) P-C4' energy: -65.325
flat angles C4'-P-C4' energy: -62.563
flat angles P-C4'-P energy: -47.487
tors. eta vs tors. theta energy: -48.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -817.865024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.865024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.865024 (E_RNA)
where:
Base-Base interactions energy: -517.222
where: short stacking energy: -238.854
Base-Backbone interact. energy: -2.277
local terms energy: -298.365838
where:
bonds (distance) C4'-P energy: -55.369
bonds (distance) P-C4' energy: -59.714
flat angles C4'-P-C4' energy: -63.983
flat angles P-C4'-P energy: -49.210
tors. eta vs tors. theta energy: -70.090
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: 6, replica: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -625.951938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.951938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.951938 (E_RNA)
where:
Base-Base interactions energy: -381.147
where: short stacking energy: -170.248
Base-Backbone interact. energy: -1.496
local terms energy: -243.308078
where:
bonds (distance) C4'-P energy: -59.459
bonds (distance) P-C4' energy: -60.240
flat angles C4'-P-C4' energy: -60.952
flat angles P-C4'-P energy: -35.455
tors. eta vs tors. theta energy: -27.202
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: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -611.120868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.120868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.120868 (E_RNA)
where:
Base-Base interactions energy: -378.351
where: short stacking energy: -188.490
Base-Backbone interact. energy: 0.098
local terms energy: -232.867159
where:
bonds (distance) C4'-P energy: -47.492
bonds (distance) P-C4' energy: -55.804
flat angles C4'-P-C4' energy: -54.359
flat angles P-C4'-P energy: -34.579
tors. eta vs tors. theta energy: -40.633
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: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -410.189028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.189028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.189028 (E_RNA)
where:
Base-Base interactions energy: -194.640
where: short stacking energy: -100.402
Base-Backbone interact. energy: -0.637
local terms energy: -214.912396
where:
bonds (distance) C4'-P energy: -55.094
bonds (distance) P-C4' energy: -63.667
flat angles C4'-P-C4' energy: -57.550
flat angles P-C4'-P energy: -31.313
tors. eta vs tors. theta energy: -7.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -286.207150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.207150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.207150 (E_RNA)
where:
Base-Base interactions energy: -116.894
where: short stacking energy: -91.155
Base-Backbone interact. energy: 0.609
local terms energy: -169.922914
where:
bonds (distance) C4'-P energy: -48.665
bonds (distance) P-C4' energy: -38.032
flat angles C4'-P-C4' energy: -53.741
flat angles P-C4'-P energy: -34.361
tors. eta vs tors. theta energy: 4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -277.983251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.983251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.983251 (E_RNA)
where:
Base-Base interactions energy: -105.573
where: short stacking energy: -67.396
Base-Backbone interact. energy: -0.753
local terms energy: -171.657245
where:
bonds (distance) C4'-P energy: -52.697
bonds (distance) P-C4' energy: -51.534
flat angles C4'-P-C4' energy: -45.286
flat angles P-C4'-P energy: -28.510
tors. eta vs tors. theta energy: 6.369
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: 1, replica: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1029.223785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.223785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.223785 (E_RNA)
where:
Base-Base interactions energy: -667.410
where: short stacking energy: -287.572
Base-Backbone interact. energy: -8.109
local terms energy: -353.704839
where:
bonds (distance) C4'-P energy: -71.693
bonds (distance) P-C4' energy: -73.271
flat angles C4'-P-C4' energy: -70.869
flat angles P-C4'-P energy: -53.550
tors. eta vs tors. theta energy: -84.322
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: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -980.688799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.688799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.688799 (E_RNA)
where:
Base-Base interactions energy: -670.142
where: short stacking energy: -290.034
Base-Backbone interact. energy: -3.948
local terms energy: -306.598320
where:
bonds (distance) C4'-P energy: -61.293
bonds (distance) P-C4' energy: -57.540
flat angles C4'-P-C4' energy: -68.809
flat angles P-C4'-P energy: -44.028
tors. eta vs tors. theta energy: -74.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -943.084979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.084979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.084979 (E_RNA)
where:
Base-Base interactions energy: -644.297
where: short stacking energy: -285.480
Base-Backbone interact. energy: 1.186
local terms energy: -300.144703
where:
bonds (distance) C4'-P energy: -57.112
bonds (distance) P-C4' energy: -62.960
flat angles C4'-P-C4' energy: -66.916
flat angles P-C4'-P energy: -34.712
tors. eta vs tors. theta energy: -78.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.171 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -831.579626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.579626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.579626 (E_RNA)
where:
Base-Base interactions energy: -541.263
where: short stacking energy: -271.471
Base-Backbone interact. energy: -0.064
local terms energy: -290.253051
where:
bonds (distance) C4'-P energy: -53.775
bonds (distance) P-C4' energy: -57.023
flat angles C4'-P-C4' energy: -63.132
flat angles P-C4'-P energy: -40.999
tors. eta vs tors. theta energy: -75.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -804.617788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.617788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.617788 (E_RNA)
where:
Base-Base interactions energy: -514.810
where: short stacking energy: -255.314
Base-Backbone interact. energy: -1.308
local terms energy: -288.499464
where:
bonds (distance) C4'-P energy: -55.704
bonds (distance) P-C4' energy: -65.316
flat angles C4'-P-C4' energy: -59.295
flat angles P-C4'-P energy: -37.514
tors. eta vs tors. theta energy: -70.670
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: 6, replica: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -653.136062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.136062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.136062 (E_RNA)
where:
Base-Base interactions energy: -397.970
where: short stacking energy: -199.244
Base-Backbone interact. energy: -0.821
local terms energy: -254.345018
where:
bonds (distance) C4'-P energy: -41.563
bonds (distance) P-C4' energy: -62.363
flat angles C4'-P-C4' energy: -57.941
flat angles P-C4'-P energy: -39.354
tors. eta vs tors. theta energy: -53.124
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: 9
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -562.455088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.455088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.455088 (E_RNA)
where:
Base-Base interactions energy: -323.070
where: short stacking energy: -165.991
Base-Backbone interact. energy: -3.574
local terms energy: -235.811053
where:
bonds (distance) C4'-P energy: -52.660
bonds (distance) P-C4' energy: -59.251
flat angles C4'-P-C4' energy: -44.280
flat angles P-C4'-P energy: -45.140
tors. eta vs tors. theta energy: -34.480
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: 10
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -460.881835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.881835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.881835 (E_RNA)
where:
Base-Base interactions energy: -266.350
where: short stacking energy: -129.338
Base-Backbone interact. energy: 1.161
local terms energy: -195.692656
where:
bonds (distance) C4'-P energy: -45.774
bonds (distance) P-C4' energy: -46.138
flat angles C4'-P-C4' energy: -47.097
flat angles P-C4'-P energy: -39.374
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -286.195166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.195166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.195166 (E_RNA)
where:
Base-Base interactions energy: -102.344
where: short stacking energy: -78.662
Base-Backbone interact. energy: -0.824
local terms energy: -183.027178
where:
bonds (distance) C4'-P energy: -58.934
bonds (distance) P-C4' energy: -49.989
flat angles C4'-P-C4' energy: -51.859
flat angles P-C4'-P energy: -29.231
tors. eta vs tors. theta energy: 6.986
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: 10, replica: 5
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -255.910363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.910363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.910363 (E_RNA)
where:
Base-Base interactions energy: -76.151
where: short stacking energy: -69.339
Base-Backbone interact. energy: 2.482
local terms energy: -182.241401
where:
bonds (distance) C4'-P energy: -46.937
bonds (distance) P-C4' energy: -70.467
flat angles C4'-P-C4' energy: -43.696
flat angles P-C4'-P energy: -30.532
tors. eta vs tors. theta energy: 9.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1001.892259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.892259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.892259 (E_RNA)
where:
Base-Base interactions energy: -691.912
where: short stacking energy: -299.035
Base-Backbone interact. energy: -1.141
local terms energy: -308.839372
where:
bonds (distance) C4'-P energy: -53.286
bonds (distance) P-C4' energy: -61.307
flat angles C4'-P-C4' energy: -72.092
flat angles P-C4'-P energy: -44.989
tors. eta vs tors. theta energy: -77.165
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: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -973.997671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.997671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.997671 (E_RNA)
where:
Base-Base interactions energy: -674.414
where: short stacking energy: -284.213
Base-Backbone interact. energy: 1.470
local terms energy: -301.053523
where:
bonds (distance) C4'-P energy: -59.190
bonds (distance) P-C4' energy: -57.663
flat angles C4'-P-C4' energy: -77.434
flat angles P-C4'-P energy: -39.270
tors. eta vs tors. theta energy: -67.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -927.085255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.085255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.085255 (E_RNA)
where:
Base-Base interactions energy: -627.067
where: short stacking energy: -296.385
Base-Backbone interact. energy: -3.357
local terms energy: -297.247647
where:
bonds (distance) C4'-P energy: -54.669
bonds (distance) P-C4' energy: -59.900
flat angles C4'-P-C4' energy: -64.357
flat angles P-C4'-P energy: -40.758
tors. eta vs tors. theta energy: -77.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.586 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -824.014032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.014032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.014032 (E_RNA)
where:
Base-Base interactions energy: -513.395
where: short stacking energy: -256.046
Base-Backbone interact. energy: 0.051
local terms energy: -310.669598
where:
bonds (distance) C4'-P energy: -50.552
bonds (distance) P-C4' energy: -69.301
flat angles C4'-P-C4' energy: -74.941
flat angles P-C4'-P energy: -47.465
tors. eta vs tors. theta energy: -68.411
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: 4
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -779.984753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.984753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.984753 (E_RNA)
where:
Base-Base interactions energy: -520.958
where: short stacking energy: -227.787
Base-Backbone interact. energy: -1.094
local terms energy: -257.933022
where:
bonds (distance) C4'-P energy: -55.190
bonds (distance) P-C4' energy: -43.469
flat angles C4'-P-C4' energy: -63.605
flat angles P-C4'-P energy: -33.754
tors. eta vs tors. theta energy: -61.915
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: 6, replica: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -687.226631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.226631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.226631 (E_RNA)
where:
Base-Base interactions energy: -419.413
where: short stacking energy: -210.352
Base-Backbone interact. energy: -1.711
local terms energy: -266.102081
where:
bonds (distance) C4'-P energy: -45.553
bonds (distance) P-C4' energy: -64.342
flat angles C4'-P-C4' energy: -63.858
flat angles P-C4'-P energy: -43.979
tors. eta vs tors. theta energy: -48.371
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: 7, replica: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -536.154512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.154512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.154512 (E_RNA)
where:
Base-Base interactions energy: -294.626
where: short stacking energy: -178.084
Base-Backbone interact. energy: -2.444
local terms energy: -239.083987
where:
bonds (distance) C4'-P energy: -49.694
bonds (distance) P-C4' energy: -64.244
flat angles C4'-P-C4' energy: -50.305
flat angles P-C4'-P energy: -31.993
tors. eta vs tors. theta energy: -42.848
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: 8, replica: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -484.184660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.184660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.184660 (E_RNA)
where:
Base-Base interactions energy: -266.378
where: short stacking energy: -140.812
Base-Backbone interact. energy: -1.476
local terms energy: -216.330976
where:
bonds (distance) C4'-P energy: -52.355
bonds (distance) P-C4' energy: -62.713
flat angles C4'-P-C4' energy: -55.373
flat angles P-C4'-P energy: -33.360
tors. eta vs tors. theta energy: -12.531
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: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -278.458165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.458165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.458165 (E_RNA)
where:
Base-Base interactions energy: -115.910
where: short stacking energy: -78.623
Base-Backbone interact. energy: -2.142
local terms energy: -160.406505
where:
bonds (distance) C4'-P energy: -48.268
bonds (distance) P-C4' energy: -48.512
flat angles C4'-P-C4' energy: -39.249
flat angles P-C4'-P energy: -25.497
tors. eta vs tors. theta energy: 1.120
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: 5
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -268.983078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.983078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.983078 (E_RNA)
where:
Base-Base interactions energy: -94.424
where: short stacking energy: -78.169
Base-Backbone interact. energy: -0.136
local terms energy: -174.423223
where:
bonds (distance) C4'-P energy: -47.153
bonds (distance) P-C4' energy: -60.701
flat angles C4'-P-C4' energy: -47.231
flat angles P-C4'-P energy: -37.266
tors. eta vs tors. theta energy: 17.930
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: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1023.024558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.024558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.024558 (E_RNA)
where:
Base-Base interactions energy: -687.857
where: short stacking energy: -317.128
Base-Backbone interact. energy: -0.390
local terms energy: -334.778176
where:
bonds (distance) C4'-P energy: -63.890
bonds (distance) P-C4' energy: -64.468
flat angles C4'-P-C4' energy: -72.070
flat angles P-C4'-P energy: -49.461
tors. eta vs tors. theta energy: -84.889
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: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -988.909395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.909395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.909395 (E_RNA)
where:
Base-Base interactions energy: -664.647
where: short stacking energy: -298.173
Base-Backbone interact. energy: -2.806
local terms energy: -321.455679
where:
bonds (distance) C4'-P energy: -59.890
bonds (distance) P-C4' energy: -67.603
flat angles C4'-P-C4' energy: -63.744
flat angles P-C4'-P energy: -50.467
tors. eta vs tors. theta energy: -79.752
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: 3, replica: 7
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -918.956577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.956577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.956577 (E_RNA)
where:
Base-Base interactions energy: -615.319
where: short stacking energy: -274.813
Base-Backbone interact. energy: -2.076
local terms energy: -301.561723
where:
bonds (distance) C4'-P energy: -54.472
bonds (distance) P-C4' energy: -69.539
flat angles C4'-P-C4' energy: -71.132
flat angles P-C4'-P energy: -32.634
tors. eta vs tors. theta energy: -73.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -829.027462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.027462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.027462 (E_RNA)
where:
Base-Base interactions energy: -522.854
where: short stacking energy: -231.872
Base-Backbone interact. energy: 0.238
local terms energy: -306.410857
where:
bonds (distance) C4'-P energy: -61.672
bonds (distance) P-C4' energy: -62.214
flat angles C4'-P-C4' energy: -62.650
flat angles P-C4'-P energy: -51.637
tors. eta vs tors. theta energy: -68.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -775.933078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.933078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.933078 (E_RNA)
where:
Base-Base interactions energy: -489.027
where: short stacking energy: -231.256
Base-Backbone interact. energy: -0.519
local terms energy: -286.387260
where:
bonds (distance) C4'-P energy: -57.150
bonds (distance) P-C4' energy: -66.180
flat angles C4'-P-C4' energy: -73.009
flat angles P-C4'-P energy: -42.679
tors. eta vs tors. theta energy: -47.369
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: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -594.937641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.937641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.937641 (E_RNA)
where:
Base-Base interactions energy: -356.055
where: short stacking energy: -171.566
Base-Backbone interact. energy: 0.544
local terms energy: -239.426491
where:
bonds (distance) C4'-P energy: -63.231
bonds (distance) P-C4' energy: -48.136
flat angles C4'-P-C4' energy: -47.527
flat angles P-C4'-P energy: -32.502
tors. eta vs tors. theta energy: -48.030
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: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -570.943135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.943135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.943135 (E_RNA)
where:
Base-Base interactions energy: -344.697
where: short stacking energy: -153.880
Base-Backbone interact. energy: 1.595
local terms energy: -227.841119
where:
bonds (distance) C4'-P energy: -54.811
bonds (distance) P-C4' energy: -57.502
flat angles C4'-P-C4' energy: -55.542
flat angles P-C4'-P energy: -32.461
tors. eta vs tors. theta energy: -27.525
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: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -474.512745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.512745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.512745 (E_RNA)
where:
Base-Base interactions energy: -267.840
where: short stacking energy: -138.485
Base-Backbone interact. energy: 2.060
local terms energy: -208.733054
where:
bonds (distance) C4'-P energy: -56.382
bonds (distance) P-C4' energy: -53.961
flat angles C4'-P-C4' energy: -47.414
flat angles P-C4'-P energy: -31.473
tors. eta vs tors. theta energy: -19.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -292.814921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.814921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.814921 (E_RNA)
where:
Base-Base interactions energy: -89.105
where: short stacking energy: -75.106
Base-Backbone interact. energy: 0.022
local terms energy: -203.731935
where:
bonds (distance) C4'-P energy: -54.935
bonds (distance) P-C4' energy: -57.517
flat angles C4'-P-C4' energy: -54.331
flat angles P-C4'-P energy: -35.455
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -272.033618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.033618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.033618 (E_RNA)
where:
Base-Base interactions energy: -105.994
where: short stacking energy: -76.819
Base-Backbone interact. energy: 2.734
local terms energy: -169.387752
where:
bonds (distance) C4'-P energy: -42.300
bonds (distance) P-C4' energy: -67.611
flat angles C4'-P-C4' energy: -40.480
flat angles P-C4'-P energy: -24.801
tors. eta vs tors. theta energy: 5.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.614 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1000.955510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.955510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.955510 (E_RNA)
where:
Base-Base interactions energy: -664.143
where: short stacking energy: -286.227
Base-Backbone interact. energy: -3.196
local terms energy: -333.615896
where:
bonds (distance) C4'-P energy: -71.491
bonds (distance) P-C4' energy: -73.883
flat angles C4'-P-C4' energy: -66.306
flat angles P-C4'-P energy: -42.737
tors. eta vs tors. theta energy: -79.199
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: 2, replica: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -979.414177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.414177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.414177 (E_RNA)
where:
Base-Base interactions energy: -667.344
where: short stacking energy: -296.954
Base-Backbone interact. energy: -2.672
local terms energy: -309.398777
where:
bonds (distance) C4'-P energy: -59.438
bonds (distance) P-C4' energy: -55.341
flat angles C4'-P-C4' energy: -67.160
flat angles P-C4'-P energy: -46.133
tors. eta vs tors. theta energy: -81.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -911.251602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.251602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.251602 (E_RNA)
where:
Base-Base interactions energy: -603.796
where: short stacking energy: -264.192
Base-Backbone interact. energy: -2.381
local terms energy: -305.074877
where:
bonds (distance) C4'-P energy: -65.871
bonds (distance) P-C4' energy: -59.658
flat angles C4'-P-C4' energy: -75.169
flat angles P-C4'-P energy: -40.503
tors. eta vs tors. theta energy: -63.873
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: 1
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -889.367324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.367324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.367324 (E_RNA)
where:
Base-Base interactions energy: -573.851
where: short stacking energy: -270.725
Base-Backbone interact. energy: -0.941
local terms energy: -314.575355
where:
bonds (distance) C4'-P energy: -65.200
bonds (distance) P-C4' energy: -59.896
flat angles C4'-P-C4' energy: -68.162
flat angles P-C4'-P energy: -48.740
tors. eta vs tors. theta energy: -72.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -768.314112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.314112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.314112 (E_RNA)
where:
Base-Base interactions energy: -507.147
where: short stacking energy: -230.495
Base-Backbone interact. energy: -2.426
local terms energy: -258.741565
where:
bonds (distance) C4'-P energy: -52.641
bonds (distance) P-C4' energy: -58.757
flat angles C4'-P-C4' energy: -50.042
flat angles P-C4'-P energy: -44.573
tors. eta vs tors. theta energy: -52.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -608.563459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.563459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.563459 (E_RNA)
where:
Base-Base interactions energy: -340.008
where: short stacking energy: -165.791
Base-Backbone interact. energy: -0.539
local terms energy: -268.017048
where:
bonds (distance) C4'-P energy: -60.895
bonds (distance) P-C4' energy: -61.518
flat angles C4'-P-C4' energy: -65.180
flat angles P-C4'-P energy: -37.913
tors. eta vs tors. theta energy: -42.510
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: 7, replica: 9
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -496.106445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.106445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.106445 (E_RNA)
where:
Base-Base interactions energy: -283.577
where: short stacking energy: -143.594
Base-Backbone interact. energy: -0.734
local terms energy: -211.795958
where:
bonds (distance) C4'-P energy: -57.981
bonds (distance) P-C4' energy: -66.899
flat angles C4'-P-C4' energy: -41.430
flat angles P-C4'-P energy: -29.465
tors. eta vs tors. theta energy: -16.023
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: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -490.035277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.035277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.035277 (E_RNA)
where:
Base-Base interactions energy: -282.103
where: short stacking energy: -126.929
Base-Backbone interact. energy: 2.849
local terms energy: -210.781197
where:
bonds (distance) C4'-P energy: -48.928
bonds (distance) P-C4' energy: -60.623
flat angles C4'-P-C4' energy: -48.174
flat angles P-C4'-P energy: -32.742
tors. eta vs tors. theta energy: -20.314
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: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -279.202919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.202919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.202919 (E_RNA)
where:
Base-Base interactions energy: -96.842
where: short stacking energy: -73.784
Base-Backbone interact. energy: -0.078
local terms energy: -182.283160
where:
bonds (distance) C4'-P energy: -40.237
bonds (distance) P-C4' energy: -63.891
flat angles C4'-P-C4' energy: -55.330
flat angles P-C4'-P energy: -31.380
tors. eta vs tors. theta energy: 8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -281.266155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.266155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.266155 (E_RNA)
where:
Base-Base interactions energy: -84.233
where: short stacking energy: -76.605
Base-Backbone interact. energy: -1.667
local terms energy: -195.366686
where:
bonds (distance) C4'-P energy: -48.753
bonds (distance) P-C4' energy: -55.586
flat angles C4'-P-C4' energy: -66.704
flat angles P-C4'-P energy: -19.921
tors. eta vs tors. theta energy: -4.403
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: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1025.048424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.048424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.048424 (E_RNA)
where:
Base-Base interactions energy: -694.667
where: short stacking energy: -291.796
Base-Backbone interact. energy: -2.096
local terms energy: -328.286045
where:
bonds (distance) C4'-P energy: -60.081
bonds (distance) P-C4' energy: -68.004
flat angles C4'-P-C4' energy: -79.488
flat angles P-C4'-P energy: -46.505
tors. eta vs tors. theta energy: -74.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -987.567613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.567613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.567613 (E_RNA)
where:
Base-Base interactions energy: -696.676
where: short stacking energy: -307.783
Base-Backbone interact. energy: -1.539
local terms energy: -289.352062
where:
bonds (distance) C4'-P energy: -60.943
bonds (distance) P-C4' energy: -36.477
flat angles C4'-P-C4' energy: -63.516
flat angles P-C4'-P energy: -54.158
tors. eta vs tors. theta energy: -74.258
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: 7
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -906.614147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.614147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.614147 (E_RNA)
where:
Base-Base interactions energy: -616.979
where: short stacking energy: -257.691
Base-Backbone interact. energy: 2.241
local terms energy: -291.876309
where:
bonds (distance) C4'-P energy: -53.490
bonds (distance) P-C4' energy: -61.675
flat angles C4'-P-C4' energy: -72.038
flat angles P-C4'-P energy: -45.149
tors. eta vs tors. theta energy: -59.524
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: 1
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -875.045470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.045470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.045470 (E_RNA)
where:
Base-Base interactions energy: -565.972
where: short stacking energy: -248.200
Base-Backbone interact. energy: -1.704
local terms energy: -307.369976
where:
bonds (distance) C4'-P energy: -66.692
bonds (distance) P-C4' energy: -62.366
flat angles C4'-P-C4' energy: -60.596
flat angles P-C4'-P energy: -49.577
tors. eta vs tors. theta energy: -68.140
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: 4
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -773.586335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.586335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.586335 (E_RNA)
where:
Base-Base interactions energy: -506.596
where: short stacking energy: -234.470
Base-Backbone interact. energy: -2.112
local terms energy: -265.743519
where:
bonds (distance) C4'-P energy: -51.273
bonds (distance) P-C4' energy: -55.197
flat angles C4'-P-C4' energy: -60.900
flat angles P-C4'-P energy: -38.645
tors. eta vs tors. theta energy: -59.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.865 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -526.197764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.197764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.197764 (E_RNA)
where:
Base-Base interactions energy: -312.251
where: short stacking energy: -176.683
Base-Backbone interact. energy: -0.669
local terms energy: -213.278554
where:
bonds (distance) C4'-P energy: -49.686
bonds (distance) P-C4' energy: -55.431
flat angles C4'-P-C4' energy: -60.123
flat angles P-C4'-P energy: -25.479
tors. eta vs tors. theta energy: -22.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -612.924773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.924773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.924773 (E_RNA)
where:
Base-Base interactions energy: -368.654
where: short stacking energy: -158.690
Base-Backbone interact. energy: -0.682
local terms energy: -243.588579
where:
bonds (distance) C4'-P energy: -52.338
bonds (distance) P-C4' energy: -65.875
flat angles C4'-P-C4' energy: -58.085
flat angles P-C4'-P energy: -42.176
tors. eta vs tors. theta energy: -25.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -488.539657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.539657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.539657 (E_RNA)
where:
Base-Base interactions energy: -272.574
where: short stacking energy: -136.156
Base-Backbone interact. energy: 1.433
local terms energy: -217.397885
where:
bonds (distance) C4'-P energy: -57.548
bonds (distance) P-C4' energy: -60.479
flat angles C4'-P-C4' energy: -49.559
flat angles P-C4'-P energy: -30.656
tors. eta vs tors. theta energy: -19.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -288.978110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.978110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.978110 (E_RNA)
where:
Base-Base interactions energy: -96.231
where: short stacking energy: -83.742
Base-Backbone interact. energy: 0.107
local terms energy: -192.854293
where:
bonds (distance) C4'-P energy: -52.160
bonds (distance) P-C4' energy: -65.086
flat angles C4'-P-C4' energy: -44.858
flat angles P-C4'-P energy: -27.283
tors. eta vs tors. theta energy: -3.467
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: 6
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -287.203394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.203394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.203394 (E_RNA)
where:
Base-Base interactions energy: -141.304
where: short stacking energy: -94.462
Base-Backbone interact. energy: -0.110
local terms energy: -145.789115
where:
bonds (distance) C4'-P energy: -49.541
bonds (distance) P-C4' energy: -39.567
flat angles C4'-P-C4' energy: -45.661
flat angles P-C4'-P energy: -21.290
tors. eta vs tors. theta energy: 10.270
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: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1017.756783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.756783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.756783 (E_RNA)
where:
Base-Base interactions energy: -696.117
where: short stacking energy: -300.149
Base-Backbone interact. energy: 0.595
local terms energy: -322.234820
where:
bonds (distance) C4'-P energy: -54.205
bonds (distance) P-C4' energy: -62.285
flat angles C4'-P-C4' energy: -75.795
flat angles P-C4'-P energy: -49.667
tors. eta vs tors. theta energy: -80.283
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: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -991.328127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.328127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.328127 (E_RNA)
where:
Base-Base interactions energy: -661.194
where: short stacking energy: -294.243
Base-Backbone interact. energy: -1.213
local terms energy: -328.921592
where:
bonds (distance) C4'-P energy: -61.723
bonds (distance) P-C4' energy: -70.450
flat angles C4'-P-C4' energy: -67.295
flat angles P-C4'-P energy: -50.119
tors. eta vs tors. theta energy: -79.335
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: 3, replica: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -940.684313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.684313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.684313 (E_RNA)
where:
Base-Base interactions energy: -644.942
where: short stacking energy: -267.868
Base-Backbone interact. energy: -1.776
local terms energy: -294.392454
where:
bonds (distance) C4'-P energy: -55.226
bonds (distance) P-C4' energy: -59.422
flat angles C4'-P-C4' energy: -73.998
flat angles P-C4'-P energy: -35.014
tors. eta vs tors. theta energy: -70.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.425 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -836.617059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.617059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.617059 (E_RNA)
where:
Base-Base interactions energy: -543.688
where: short stacking energy: -251.317
Base-Backbone interact. energy: -1.302
local terms energy: -291.627022
where:
bonds (distance) C4'-P energy: -51.030
bonds (distance) P-C4' energy: -72.333
flat angles C4'-P-C4' energy: -65.787
flat angles P-C4'-P energy: -37.425
tors. eta vs tors. theta energy: -65.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -780.058169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.058169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.058169 (E_RNA)
where:
Base-Base interactions energy: -511.749
where: short stacking energy: -230.765
Base-Backbone interact. energy: -1.188
local terms energy: -267.120824
where:
bonds (distance) C4'-P energy: -60.205
bonds (distance) P-C4' energy: -59.691
flat angles C4'-P-C4' energy: -57.669
flat angles P-C4'-P energy: -39.039
tors. eta vs tors. theta energy: -50.518
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: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -546.490015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.490015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.490015 (E_RNA)
where:
Base-Base interactions energy: -305.668
where: short stacking energy: -170.736
Base-Backbone interact. energy: 0.247
local terms energy: -241.069335
where:
bonds (distance) C4'-P energy: -56.582
bonds (distance) P-C4' energy: -66.117
flat angles C4'-P-C4' energy: -52.456
flat angles P-C4'-P energy: -37.141
tors. eta vs tors. theta energy: -28.773
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: 3
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -631.651008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.651008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.651008 (E_RNA)
where:
Base-Base interactions energy: -401.205
where: short stacking energy: -166.269
Base-Backbone interact. energy: 2.275
local terms energy: -232.720641
where:
bonds (distance) C4'-P energy: -53.604
bonds (distance) P-C4' energy: -53.493
flat angles C4'-P-C4' energy: -69.902
flat angles P-C4'-P energy: -29.137
tors. eta vs tors. theta energy: -26.585
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: 8, replica: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -461.633168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.633168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.633168 (E_RNA)
where:
Base-Base interactions energy: -261.241
where: short stacking energy: -145.491
Base-Backbone interact. energy: 0.872
local terms energy: -201.264712
where:
bonds (distance) C4'-P energy: -41.799
bonds (distance) P-C4' energy: -65.072
flat angles C4'-P-C4' energy: -51.052
flat angles P-C4'-P energy: -28.422
tors. eta vs tors. theta energy: -14.919
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: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -349.395808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.395808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.395808 (E_RNA)
where:
Base-Base interactions energy: -160.840
where: short stacking energy: -112.876
Base-Backbone interact. energy: -1.604
local terms energy: -186.951586
where:
bonds (distance) C4'-P energy: -53.258
bonds (distance) P-C4' energy: -53.487
flat angles C4'-P-C4' energy: -39.281
flat angles P-C4'-P energy: -27.609
tors. eta vs tors. theta energy: -13.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -304.060290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.060290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.060290 (E_RNA)
where:
Base-Base interactions energy: -115.453
where: short stacking energy: -90.789
Base-Backbone interact. energy: 0.935
local terms energy: -189.542715
where:
bonds (distance) C4'-P energy: -53.748
bonds (distance) P-C4' energy: -55.419
flat angles C4'-P-C4' energy: -52.951
flat angles P-C4'-P energy: -24.263
tors. eta vs tors. theta energy: -3.162
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: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1033.677368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.677368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.677368 (E_RNA)
where:
Base-Base interactions energy: -699.723
where: short stacking energy: -310.427
Base-Backbone interact. energy: -0.613
local terms energy: -333.341800
where:
bonds (distance) C4'-P energy: -64.624
bonds (distance) P-C4' energy: -59.475
flat angles C4'-P-C4' energy: -77.262
flat angles P-C4'-P energy: -50.583
tors. eta vs tors. theta energy: -81.398
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: 2, replica: 2
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -959.748460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.748460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.748460 (E_RNA)
where:
Base-Base interactions energy: -634.835
where: short stacking energy: -278.919
Base-Backbone interact. energy: 1.977
local terms energy: -326.890297
where:
bonds (distance) C4'-P energy: -70.046
bonds (distance) P-C4' energy: -63.176
flat angles C4'-P-C4' energy: -74.250
flat angles P-C4'-P energy: -44.431
tors. eta vs tors. theta energy: -74.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -934.994836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.994836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.994836 (E_RNA)
where:
Base-Base interactions energy: -635.074
where: short stacking energy: -263.820
Base-Backbone interact. energy: -2.680
local terms energy: -297.365379
where:
bonds (distance) C4'-P energy: -62.056
bonds (distance) P-C4' energy: -59.406
flat angles C4'-P-C4' energy: -61.140
flat angles P-C4'-P energy: -46.075
tors. eta vs tors. theta energy: -68.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.125 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -846.164882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.164882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.164882 (E_RNA)
where:
Base-Base interactions energy: -546.585
where: short stacking energy: -255.719
Base-Backbone interact. energy: -0.119
local terms energy: -299.460426
where:
bonds (distance) C4'-P energy: -56.816
bonds (distance) P-C4' energy: -64.025
flat angles C4'-P-C4' energy: -66.074
flat angles P-C4'-P energy: -42.790
tors. eta vs tors. theta energy: -69.755
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: 4
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -806.981416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.981416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.981416 (E_RNA)
where:
Base-Base interactions energy: -518.558
where: short stacking energy: -240.563
Base-Backbone interact. energy: -2.293
local terms energy: -286.130356
where:
bonds (distance) C4'-P energy: -57.958
bonds (distance) P-C4' energy: -65.085
flat angles C4'-P-C4' energy: -56.751
flat angles P-C4'-P energy: -46.795
tors. eta vs tors. theta energy: -59.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -642.755691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.755691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.755691 (E_RNA)
where:
Base-Base interactions energy: -388.641
where: short stacking energy: -195.090
Base-Backbone interact. energy: 1.934
local terms energy: -256.676984
where:
bonds (distance) C4'-P energy: -55.298
bonds (distance) P-C4' energy: -53.058
flat angles C4'-P-C4' energy: -60.141
flat angles P-C4'-P energy: -40.887
tors. eta vs tors. theta energy: -47.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.628 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -503.878491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.878491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.878491 (E_RNA)
where:
Base-Base interactions energy: -269.986
where: short stacking energy: -132.185
Base-Backbone interact. energy: -1.325
local terms energy: -232.567393
where:
bonds (distance) C4'-P energy: -49.226
bonds (distance) P-C4' energy: -55.369
flat angles C4'-P-C4' energy: -65.661
flat angles P-C4'-P energy: -40.262
tors. eta vs tors. theta energy: -22.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -470.536257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.536257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.536257 (E_RNA)
where:
Base-Base interactions energy: -260.124
where: short stacking energy: -123.386
Base-Backbone interact. energy: -2.341
local terms energy: -208.071157
where:
bonds (distance) C4'-P energy: -56.271
bonds (distance) P-C4' energy: -55.524
flat angles C4'-P-C4' energy: -56.013
flat angles P-C4'-P energy: -29.745
tors. eta vs tors. theta energy: -10.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -351.542404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.542404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.542404 (E_RNA)
where:
Base-Base interactions energy: -174.787
where: short stacking energy: -113.821
Base-Backbone interact. energy: 1.570
local terms energy: -178.325116
where:
bonds (distance) C4'-P energy: -56.112
bonds (distance) P-C4' energy: -43.819
flat angles C4'-P-C4' energy: -57.580
flat angles P-C4'-P energy: -20.586
tors. eta vs tors. theta energy: -0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -296.079470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.079470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.079470 (E_RNA)
where:
Base-Base interactions energy: -106.479
where: short stacking energy: -86.497
Base-Backbone interact. energy: -0.783
local terms energy: -188.817116
where:
bonds (distance) C4'-P energy: -51.431
bonds (distance) P-C4' energy: -54.991
flat angles C4'-P-C4' energy: -59.727
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: 4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1027.121778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.121778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.121778 (E_RNA)
where:
Base-Base interactions energy: -695.918
where: short stacking energy: -298.403
Base-Backbone interact. energy: -4.402
local terms energy: -326.801808
where:
bonds (distance) C4'-P energy: -56.803
bonds (distance) P-C4' energy: -70.101
flat angles C4'-P-C4' energy: -73.860
flat angles P-C4'-P energy: -48.044
tors. eta vs tors. theta energy: -77.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -953.019311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.019311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.019311 (E_RNA)
where:
Base-Base interactions energy: -640.788
where: short stacking energy: -258.459
Base-Backbone interact. energy: 0.592
local terms energy: -312.823393
where:
bonds (distance) C4'-P energy: -67.338
bonds (distance) P-C4' energy: -57.950
flat angles C4'-P-C4' energy: -71.786
flat angles P-C4'-P energy: -40.837
tors. eta vs tors. theta energy: -74.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -923.765925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.765925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.765925 (E_RNA)
where:
Base-Base interactions energy: -612.805
where: short stacking energy: -250.390
Base-Backbone interact. energy: 0.145
local terms energy: -311.105895
where:
bonds (distance) C4'-P energy: -57.756
bonds (distance) P-C4' energy: -67.153
flat angles C4'-P-C4' energy: -73.591
flat angles P-C4'-P energy: -42.300
tors. eta vs tors. theta energy: -70.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -844.237227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.237227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.237227 (E_RNA)
where:
Base-Base interactions energy: -550.489
where: short stacking energy: -252.122
Base-Backbone interact. energy: -0.054
local terms energy: -293.694307
where:
bonds (distance) C4'-P energy: -50.250
bonds (distance) P-C4' energy: -57.689
flat angles C4'-P-C4' energy: -64.176
flat angles P-C4'-P energy: -50.996
tors. eta vs tors. theta energy: -70.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -795.063232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.063232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.063232 (E_RNA)
where:
Base-Base interactions energy: -534.198
where: short stacking energy: -246.888
Base-Backbone interact. energy: -0.255
local terms energy: -262.244480
where:
bonds (distance) C4'-P energy: -47.327
bonds (distance) P-C4' energy: -46.318
flat angles C4'-P-C4' energy: -61.029
flat angles P-C4'-P energy: -44.908
tors. eta vs tors. theta energy: -62.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.634 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -614.888468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.888468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.888468 (E_RNA)
where:
Base-Base interactions energy: -366.302
where: short stacking energy: -180.030
Base-Backbone interact. energy: -0.409
local terms energy: -248.177359
where:
bonds (distance) C4'-P energy: -56.075
bonds (distance) P-C4' energy: -70.730
flat angles C4'-P-C4' energy: -54.338
flat angles P-C4'-P energy: -36.698
tors. eta vs tors. theta energy: -30.337
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: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -514.619937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.619937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.619937 (E_RNA)
where:
Base-Base interactions energy: -283.522
where: short stacking energy: -135.117
Base-Backbone interact. energy: -0.737
local terms energy: -230.361703
where:
bonds (distance) C4'-P energy: -40.889
bonds (distance) P-C4' energy: -74.204
flat angles C4'-P-C4' energy: -64.100
flat angles P-C4'-P energy: -30.684
tors. eta vs tors. theta energy: -20.485
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: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -486.802953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.802953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.802953 (E_RNA)
where:
Base-Base interactions energy: -271.791
where: short stacking energy: -140.897
Base-Backbone interact. energy: -1.443
local terms energy: -213.568571
where:
bonds (distance) C4'-P energy: -42.706
bonds (distance) P-C4' energy: -53.203
flat angles C4'-P-C4' energy: -65.370
flat angles P-C4'-P energy: -42.010
tors. eta vs tors. theta energy: -10.279
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: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -302.001082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.001082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.001082 (E_RNA)
where:
Base-Base interactions energy: -105.857
where: short stacking energy: -82.326
Base-Backbone interact. energy: 0.170
local terms energy: -196.313390
where:
bonds (distance) C4'-P energy: -50.865
bonds (distance) P-C4' energy: -57.330
flat angles C4'-P-C4' energy: -53.982
flat angles P-C4'-P energy: -28.806
tors. eta vs tors. theta energy: -5.330
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: 10, replica: 6
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -327.492687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.492687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.492687 (E_RNA)
where:
Base-Base interactions energy: -136.170
where: short stacking energy: -87.254
Base-Backbone interact. energy: 3.061
local terms energy: -194.383603
where:
bonds (distance) C4'-P energy: -61.004
bonds (distance) P-C4' energy: -56.651
flat angles C4'-P-C4' energy: -54.975
flat angles P-C4'-P energy: -23.799
tors. eta vs tors. theta energy: 2.046
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: 83
Temperature: 0.900000
Total energy: -1019.155167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.155167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.155167 (E_RNA)
where:
Base-Base interactions energy: -705.126
where: short stacking energy: -295.872
Base-Backbone interact. energy: -1.208
local terms energy: -312.821185
where:
bonds (distance) C4'-P energy: -60.527
bonds (distance) P-C4' energy: -63.177
flat angles C4'-P-C4' energy: -68.841
flat angles P-C4'-P energy: -45.613
tors. eta vs tors. theta energy: -74.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -953.034765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.034765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.034765 (E_RNA)
where:
Base-Base interactions energy: -638.616
where: short stacking energy: -266.126
Base-Backbone interact. energy: -0.235
local terms energy: -314.183432
where:
bonds (distance) C4'-P energy: -56.105
bonds (distance) P-C4' energy: -59.890
flat angles C4'-P-C4' energy: -73.244
flat angles P-C4'-P energy: -50.981
tors. eta vs tors. theta energy: -73.964
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: 2
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -894.808093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.808093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.808093 (E_RNA)
where:
Base-Base interactions energy: -601.455
where: short stacking energy: -247.027
Base-Backbone interact. energy: -1.138
local terms energy: -292.214905
where:
bonds (distance) C4'-P energy: -56.342
bonds (distance) P-C4' energy: -61.476
flat angles C4'-P-C4' energy: -64.173
flat angles P-C4'-P energy: -40.525
tors. eta vs tors. theta energy: -69.699
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: 1
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -874.255178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.255178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.255178 (E_RNA)
where:
Base-Base interactions energy: -562.936
where: short stacking energy: -249.201
Base-Backbone interact. energy: -0.787
local terms energy: -310.532808
where:
bonds (distance) C4'-P energy: -62.958
bonds (distance) P-C4' energy: -67.915
flat angles C4'-P-C4' energy: -70.424
flat angles P-C4'-P energy: -44.044
tors. eta vs tors. theta energy: -65.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -786.112267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.112267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.112267 (E_RNA)
where:
Base-Base interactions energy: -514.040
where: short stacking energy: -247.422
Base-Backbone interact. energy: -1.928
local terms energy: -270.310020
where:
bonds (distance) C4'-P energy: -50.589
bonds (distance) P-C4' energy: -59.472
flat angles C4'-P-C4' energy: -63.037
flat angles P-C4'-P energy: -33.725
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: 0.165 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -603.525450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.525450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.525450 (E_RNA)
where:
Base-Base interactions energy: -356.897
where: short stacking energy: -165.233
Base-Backbone interact. energy: -2.058
local terms energy: -244.569965
where:
bonds (distance) C4'-P energy: -57.614
bonds (distance) P-C4' energy: -50.398
flat angles C4'-P-C4' energy: -63.266
flat angles P-C4'-P energy: -37.170
tors. eta vs tors. theta energy: -36.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -574.804276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.804276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.804276 (E_RNA)
where:
Base-Base interactions energy: -325.635
where: short stacking energy: -161.773
Base-Backbone interact. energy: -0.318
local terms energy: -248.850402
where:
bonds (distance) C4'-P energy: -59.693
bonds (distance) P-C4' energy: -62.942
flat angles C4'-P-C4' energy: -65.097
flat angles P-C4'-P energy: -28.774
tors. eta vs tors. theta energy: -32.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -386.177044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.177044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.177044 (E_RNA)
where:
Base-Base interactions energy: -196.574
where: short stacking energy: -119.825
Base-Backbone interact. energy: -0.665
local terms energy: -188.937657
where:
bonds (distance) C4'-P energy: -54.895
bonds (distance) P-C4' energy: -54.071
flat angles C4'-P-C4' energy: -40.196
flat angles P-C4'-P energy: -28.827
tors. eta vs tors. theta energy: -10.949
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: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -272.425703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.425703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.425703 (E_RNA)
where:
Base-Base interactions energy: -92.479
where: short stacking energy: -81.253
Base-Backbone interact. energy: 2.101
local terms energy: -182.047639
where:
bonds (distance) C4'-P energy: -51.117
bonds (distance) P-C4' energy: -55.120
flat angles C4'-P-C4' energy: -50.604
flat angles P-C4'-P energy: -25.238
tors. eta vs tors. theta energy: 0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -395.896165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.896165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.896165 (E_RNA)
where:
Base-Base interactions energy: -202.231
where: short stacking energy: -115.310
Base-Backbone interact. energy: -1.396
local terms energy: -192.268806
where:
bonds (distance) C4'-P energy: -52.496
bonds (distance) P-C4' energy: -50.226
flat angles C4'-P-C4' energy: -47.729
flat angles P-C4'-P energy: -33.785
tors. eta vs tors. theta energy: -8.032
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: 8
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1030.125989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.125989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.125989 (E_RNA)
where:
Base-Base interactions energy: -699.185
where: short stacking energy: -304.821
Base-Backbone interact. energy: -0.524
local terms energy: -330.416720
where:
bonds (distance) C4'-P energy: -57.972
bonds (distance) P-C4' energy: -60.808
flat angles C4'-P-C4' energy: -75.913
flat angles P-C4'-P energy: -55.134
tors. eta vs tors. theta energy: -80.590
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: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -959.215330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.215330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.215330 (E_RNA)
where:
Base-Base interactions energy: -643.587
where: short stacking energy: -287.035
Base-Backbone interact. energy: -0.584
local terms energy: -315.043872
where:
bonds (distance) C4'-P energy: -48.636
bonds (distance) P-C4' energy: -66.919
flat angles C4'-P-C4' energy: -70.377
flat angles P-C4'-P energy: -45.109
tors. eta vs tors. theta energy: -84.002
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: 84
Temperature: 1.000000
Total energy: -945.199297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.199297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.199297 (E_RNA)
where:
Base-Base interactions energy: -635.458
where: short stacking energy: -266.417
Base-Backbone interact. energy: -0.367
local terms energy: -309.374445
where:
bonds (distance) C4'-P energy: -57.192
bonds (distance) P-C4' energy: -63.908
flat angles C4'-P-C4' energy: -67.458
flat angles P-C4'-P energy: -43.755
tors. eta vs tors. theta energy: -77.063
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: 1
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -869.251739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.251739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.251739 (E_RNA)
where:
Base-Base interactions energy: -569.564
where: short stacking energy: -245.148
Base-Backbone interact. energy: -0.705
local terms energy: -298.982439
where:
bonds (distance) C4'-P energy: -63.170
bonds (distance) P-C4' energy: -60.029
flat angles C4'-P-C4' energy: -66.559
flat angles P-C4'-P energy: -44.678
tors. eta vs tors. theta energy: -64.547
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: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -761.580187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.580187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.580187 (E_RNA)
where:
Base-Base interactions energy: -496.437
where: short stacking energy: -233.135
Base-Backbone interact. energy: -0.727
local terms energy: -264.428770
where:
bonds (distance) C4'-P energy: -55.717
bonds (distance) P-C4' energy: -61.330
flat angles C4'-P-C4' energy: -62.897
flat angles P-C4'-P energy: -28.836
tors. eta vs tors. theta energy: -55.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.012 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -615.253090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.253090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.253090 (E_RNA)
where:
Base-Base interactions energy: -377.020
where: short stacking energy: -207.118
Base-Backbone interact. energy: -1.534
local terms energy: -236.698882
where:
bonds (distance) C4'-P energy: -49.934
bonds (distance) P-C4' energy: -57.386
flat angles C4'-P-C4' energy: -50.933
flat angles P-C4'-P energy: -27.810
tors. eta vs tors. theta energy: -50.635
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: 3
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -520.620546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.620546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.620546 (E_RNA)
where:
Base-Base interactions energy: -275.902
where: short stacking energy: -148.211
Base-Backbone interact. energy: 0.834
local terms energy: -245.552616
where:
bonds (distance) C4'-P energy: -58.117
bonds (distance) P-C4' energy: -65.136
flat angles C4'-P-C4' energy: -67.128
flat angles P-C4'-P energy: -29.186
tors. eta vs tors. theta energy: -25.986
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: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -386.646804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.646804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.646804 (E_RNA)
where:
Base-Base interactions energy: -177.851
where: short stacking energy: -105.387
Base-Backbone interact. energy: -0.835
local terms energy: -207.961421
where:
bonds (distance) C4'-P energy: -59.736
bonds (distance) P-C4' energy: -61.053
flat angles C4'-P-C4' energy: -59.396
flat angles P-C4'-P energy: -30.950
tors. eta vs tors. theta energy: 3.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -398.906953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.906953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.906953 (E_RNA)
where:
Base-Base interactions energy: -216.356
where: short stacking energy: -125.220
Base-Backbone interact. energy: 4.738
local terms energy: -187.289211
where:
bonds (distance) C4'-P energy: -56.617
bonds (distance) P-C4' energy: -52.249
flat angles C4'-P-C4' energy: -44.299
flat angles P-C4'-P energy: -29.036
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -268.320469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.320469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.320469 (E_RNA)
where:
Base-Base interactions energy: -87.326
where: short stacking energy: -74.065
Base-Backbone interact. energy: -0.579
local terms energy: -180.415110
where:
bonds (distance) C4'-P energy: -56.765
bonds (distance) P-C4' energy: -50.921
flat angles C4'-P-C4' energy: -49.189
flat angles P-C4'-P energy: -29.372
tors. eta vs tors. theta energy: 5.833
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: 8
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -998.158982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.158982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.158982 (E_RNA)
where:
Base-Base interactions energy: -663.454
where: short stacking energy: -300.071
Base-Backbone interact. energy: -1.899
local terms energy: -332.805935
where:
bonds (distance) C4'-P energy: -66.991
bonds (distance) P-C4' energy: -71.050
flat angles C4'-P-C4' energy: -67.833
flat angles P-C4'-P energy: -47.765
tors. eta vs tors. theta energy: -79.167
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: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -999.222710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.222710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.222710 (E_RNA)
where:
Base-Base interactions energy: -666.182
where: short stacking energy: -301.892
Base-Backbone interact. energy: -6.333
local terms energy: -326.707751
where:
bonds (distance) C4'-P energy: -64.465
bonds (distance) P-C4' energy: -69.906
flat angles C4'-P-C4' energy: -65.443
flat angles P-C4'-P energy: -48.611
tors. eta vs tors. theta energy: -78.284
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: 85
Temperature: 1.000000
Total energy: -926.958543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.958543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.958543 (E_RNA)
where:
Base-Base interactions energy: -623.490
where: short stacking energy: -269.816
Base-Backbone interact. energy: -0.567
local terms energy: -302.902121
where:
bonds (distance) C4'-P energy: -56.929
bonds (distance) P-C4' energy: -67.208
flat angles C4'-P-C4' energy: -74.352
flat angles P-C4'-P energy: -34.973
tors. eta vs tors. theta energy: -69.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -877.990141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.990141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.990141 (E_RNA)
where:
Base-Base interactions energy: -601.379
where: short stacking energy: -243.457
Base-Backbone interact. energy: -1.939
local terms energy: -274.672095
where:
bonds (distance) C4'-P energy: -56.073
bonds (distance) P-C4' energy: -56.297
flat angles C4'-P-C4' energy: -69.662
flat angles P-C4'-P energy: -37.714
tors. eta vs tors. theta energy: -54.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -791.421365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.421365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.421365 (E_RNA)
where:
Base-Base interactions energy: -510.077
where: short stacking energy: -248.821
Base-Backbone interact. energy: -0.296
local terms energy: -281.048628
where:
bonds (distance) C4'-P energy: -55.404
bonds (distance) P-C4' energy: -63.526
flat angles C4'-P-C4' energy: -62.673
flat angles P-C4'-P energy: -31.984
tors. eta vs tors. theta energy: -67.461
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: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -590.973611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.973611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.973611 (E_RNA)
where:
Base-Base interactions energy: -344.594
where: short stacking energy: -164.902
Base-Backbone interact. energy: -0.555
local terms energy: -245.824789
where:
bonds (distance) C4'-P energy: -51.911
bonds (distance) P-C4' energy: -65.428
flat angles C4'-P-C4' energy: -53.660
flat angles P-C4'-P energy: -40.900
tors. eta vs tors. theta energy: -33.926
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: 85
Temperature: 1.200000
Total energy: -546.006803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.006803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.006803 (E_RNA)
where:
Base-Base interactions energy: -317.626
where: short stacking energy: -165.703
Base-Backbone interact. energy: 1.832
local terms energy: -230.212166
where:
bonds (distance) C4'-P energy: -54.389
bonds (distance) P-C4' energy: -58.334
flat angles C4'-P-C4' energy: -60.170
flat angles P-C4'-P energy: -26.469
tors. eta vs tors. theta energy: -30.851
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: 8, replica: 6
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -371.693758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.693758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.693758 (E_RNA)
where:
Base-Base interactions energy: -176.055
where: short stacking energy: -109.471
Base-Backbone interact. energy: -0.017
local terms energy: -195.620907
where:
bonds (distance) C4'-P energy: -37.428
bonds (distance) P-C4' energy: -63.050
flat angles C4'-P-C4' energy: -58.645
flat angles P-C4'-P energy: -34.928
tors. eta vs tors. theta energy: -1.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -390.389391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.389391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.389391 (E_RNA)
where:
Base-Base interactions energy: -201.025
where: short stacking energy: -117.522
Base-Backbone interact. energy: 5.186
local terms energy: -194.850354
where:
bonds (distance) C4'-P energy: -52.190
bonds (distance) P-C4' energy: -59.557
flat angles C4'-P-C4' energy: -45.536
flat angles P-C4'-P energy: -36.234
tors. eta vs tors. theta energy: -1.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.300 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -258.026688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.026688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.026688 (E_RNA)
where:
Base-Base interactions energy: -84.239
where: short stacking energy: -72.221
Base-Backbone interact. energy: 4.160
local terms energy: -177.947582
where:
bonds (distance) C4'-P energy: -44.059
bonds (distance) P-C4' energy: -63.655
flat angles C4'-P-C4' energy: -47.147
flat angles P-C4'-P energy: -28.136
tors. eta vs tors. theta energy: 5.050
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: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1018.424746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.424746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.424746 (E_RNA)
where:
Base-Base interactions energy: -676.433
where: short stacking energy: -311.285
Base-Backbone interact. energy: -3.113
local terms energy: -338.878083
where:
bonds (distance) C4'-P energy: -60.329
bonds (distance) P-C4' energy: -64.069
flat angles C4'-P-C4' energy: -78.066
flat angles P-C4'-P energy: -49.811
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: 2, replica: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -993.988978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.988978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.988978 (E_RNA)
where:
Base-Base interactions energy: -666.139
where: short stacking energy: -292.820
Base-Backbone interact. energy: -0.972
local terms energy: -326.877977
where:
bonds (distance) C4'-P energy: -68.934
bonds (distance) P-C4' energy: -64.566
flat angles C4'-P-C4' energy: -72.483
flat angles P-C4'-P energy: -48.800
tors. eta vs tors. theta energy: -72.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -940.421043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.421043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.421043 (E_RNA)
where:
Base-Base interactions energy: -621.041
where: short stacking energy: -278.607
Base-Backbone interact. energy: -0.714
local terms energy: -318.666236
where:
bonds (distance) C4'-P energy: -66.491
bonds (distance) P-C4' energy: -62.247
flat angles C4'-P-C4' energy: -65.750
flat angles P-C4'-P energy: -44.783
tors. eta vs tors. theta energy: -79.396
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: 1
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -863.119668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.119668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.119668 (E_RNA)
where:
Base-Base interactions energy: -572.020
where: short stacking energy: -242.923
Base-Backbone interact. energy: -1.117
local terms energy: -289.982583
where:
bonds (distance) C4'-P energy: -64.250
bonds (distance) P-C4' energy: -66.989
flat angles C4'-P-C4' energy: -65.141
flat angles P-C4'-P energy: -30.826
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: 5, replica: 4
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -767.068730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.068730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.068730 (E_RNA)
where:
Base-Base interactions energy: -485.567
where: short stacking energy: -230.438
Base-Backbone interact. energy: 1.183
local terms energy: -282.685170
where:
bonds (distance) C4'-P energy: -54.018
bonds (distance) P-C4' energy: -66.406
flat angles C4'-P-C4' energy: -60.678
flat angles P-C4'-P energy: -45.888
tors. eta vs tors. theta energy: -55.695
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: 6, replica: 10
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -665.908490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.908490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.908490 (E_RNA)
where:
Base-Base interactions energy: -419.278
where: short stacking energy: -190.121
Base-Backbone interact. energy: -0.981
local terms energy: -245.648719
where:
bonds (distance) C4'-P energy: -53.869
bonds (distance) P-C4' energy: -58.941
flat angles C4'-P-C4' energy: -55.398
flat angles P-C4'-P energy: -41.285
tors. eta vs tors. theta energy: -36.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -563.319611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.319611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.319611 (E_RNA)
where:
Base-Base interactions energy: -326.558
where: short stacking energy: -171.597
Base-Backbone interact. energy: 0.032
local terms energy: -236.793118
where:
bonds (distance) C4'-P energy: -48.361
bonds (distance) P-C4' energy: -49.908
flat angles C4'-P-C4' energy: -55.029
flat angles P-C4'-P energy: -49.054
tors. eta vs tors. theta energy: -34.442
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: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -346.709438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.709438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.709438 (E_RNA)
where:
Base-Base interactions energy: -149.064
where: short stacking energy: -88.666
Base-Backbone interact. energy: -1.754
local terms energy: -195.891189
where:
bonds (distance) C4'-P energy: -47.976
bonds (distance) P-C4' energy: -50.428
flat angles C4'-P-C4' energy: -53.495
flat angles P-C4'-P energy: -42.935
tors. eta vs tors. theta energy: -1.056
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: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -428.862550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.862550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.862550 (E_RNA)
where:
Base-Base interactions energy: -239.221
where: short stacking energy: -110.711
Base-Backbone interact. energy: -1.094
local terms energy: -188.547211
where:
bonds (distance) C4'-P energy: -50.113
bonds (distance) P-C4' energy: -53.277
flat angles C4'-P-C4' energy: -41.892
flat angles P-C4'-P energy: -33.247
tors. eta vs tors. theta energy: -10.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -260.105640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.105640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.105640 (E_RNA)
where:
Base-Base interactions energy: -85.159
where: short stacking energy: -75.875
Base-Backbone interact. energy: -1.027
local terms energy: -173.920299
where:
bonds (distance) C4'-P energy: -43.131
bonds (distance) P-C4' energy: -54.916
flat angles C4'-P-C4' energy: -53.390
flat angles P-C4'-P energy: -32.942
tors. eta vs tors. theta energy: 10.459
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: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1015.360248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.360248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.360248 (E_RNA)
where:
Base-Base interactions energy: -669.852
where: short stacking energy: -299.100
Base-Backbone interact. energy: -1.232
local terms energy: -344.276794
where:
bonds (distance) C4'-P energy: -69.805
bonds (distance) P-C4' energy: -69.378
flat angles C4'-P-C4' energy: -78.998
flat angles P-C4'-P energy: -44.092
tors. eta vs tors. theta energy: -82.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -981.358775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.358775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.358775 (E_RNA)
where:
Base-Base interactions energy: -675.883
where: short stacking energy: -290.626
Base-Backbone interact. energy: 0.824
local terms energy: -306.299964
where:
bonds (distance) C4'-P energy: -65.002
bonds (distance) P-C4' energy: -63.200
flat angles C4'-P-C4' energy: -69.497
flat angles P-C4'-P energy: -40.840
tors. eta vs tors. theta energy: -67.761
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: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -940.290467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.290467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.290467 (E_RNA)
where:
Base-Base interactions energy: -649.360
where: short stacking energy: -273.849
Base-Backbone interact. energy: -1.611
local terms energy: -289.319011
where:
bonds (distance) C4'-P energy: -60.026
bonds (distance) P-C4' energy: -57.426
flat angles C4'-P-C4' energy: -67.911
flat angles P-C4'-P energy: -37.782
tors. eta vs tors. theta energy: -66.173
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: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -862.528293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.528293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.528293 (E_RNA)
where:
Base-Base interactions energy: -565.698
where: short stacking energy: -261.312
Base-Backbone interact. energy: -0.716
local terms energy: -296.114228
where:
bonds (distance) C4'-P energy: -61.171
bonds (distance) P-C4' energy: -56.823
flat angles C4'-P-C4' energy: -67.567
flat angles P-C4'-P energy: -39.359
tors. eta vs tors. theta energy: -71.194
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: 4
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -775.492214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.492214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.492214 (E_RNA)
where:
Base-Base interactions energy: -505.969
where: short stacking energy: -233.298
Base-Backbone interact. energy: 0.249
local terms energy: -269.771641
where:
bonds (distance) C4'-P energy: -64.908
bonds (distance) P-C4' energy: -54.767
flat angles C4'-P-C4' energy: -54.076
flat angles P-C4'-P energy: -40.160
tors. eta vs tors. theta energy: -55.860
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: 10
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -689.770276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.770276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.770276 (E_RNA)
where:
Base-Base interactions energy: -420.701
where: short stacking energy: -199.921
Base-Backbone interact. energy: 0.908
local terms energy: -269.977138
where:
bonds (distance) C4'-P energy: -69.879
bonds (distance) P-C4' energy: -68.623
flat angles C4'-P-C4' energy: -59.433
flat angles P-C4'-P energy: -28.147
tors. eta vs tors. theta energy: -43.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -530.670108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.670108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.670108 (E_RNA)
where:
Base-Base interactions energy: -284.860
where: short stacking energy: -172.737
Base-Backbone interact. energy: -1.206
local terms energy: -244.604450
where:
bonds (distance) C4'-P energy: -46.987
bonds (distance) P-C4' energy: -62.825
flat angles C4'-P-C4' energy: -61.593
flat angles P-C4'-P energy: -38.704
tors. eta vs tors. theta energy: -34.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -361.680383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.680383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.680383 (E_RNA)
where:
Base-Base interactions energy: -160.746
where: short stacking energy: -103.620
Base-Backbone interact. energy: -2.732
local terms energy: -198.202200
where:
bonds (distance) C4'-P energy: -52.282
bonds (distance) P-C4' energy: -69.241
flat angles C4'-P-C4' energy: -38.928
flat angles P-C4'-P energy: -31.358
tors. eta vs tors. theta energy: -6.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -274.863580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.863580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.863580 (E_RNA)
where:
Base-Base interactions energy: -94.872
where: short stacking energy: -74.280
Base-Backbone interact. energy: 4.583
local terms energy: -184.575340
where:
bonds (distance) C4'-P energy: -66.004
bonds (distance) P-C4' energy: -50.834
flat angles C4'-P-C4' energy: -49.630
flat angles P-C4'-P energy: -33.241
tors. eta vs tors. theta energy: 15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -272.340761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.340761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.340761 (E_RNA)
where:
Base-Base interactions energy: -116.026
where: short stacking energy: -77.643
Base-Backbone interact. energy: -0.762
local terms energy: -155.552574
where:
bonds (distance) C4'-P energy: -39.472
bonds (distance) P-C4' energy: -56.679
flat angles C4'-P-C4' energy: -47.246
flat angles P-C4'-P energy: -13.612
tors. eta vs tors. theta energy: 1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1010.649706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.649706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.649706 (E_RNA)
where:
Base-Base interactions energy: -684.787
where: short stacking energy: -293.616
Base-Backbone interact. energy: -4.025
local terms energy: -321.837344
where:
bonds (distance) C4'-P energy: -62.263
bonds (distance) P-C4' energy: -59.413
flat angles C4'-P-C4' energy: -73.355
flat angles P-C4'-P energy: -51.296
tors. eta vs tors. theta energy: -75.510
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: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -969.177443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.177443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.177443 (E_RNA)
where:
Base-Base interactions energy: -643.737
where: short stacking energy: -278.914
Base-Backbone interact. energy: 2.755
local terms energy: -328.195308
where:
bonds (distance) C4'-P energy: -65.241
bonds (distance) P-C4' energy: -61.241
flat angles C4'-P-C4' energy: -71.108
flat angles P-C4'-P energy: -52.949
tors. eta vs tors. theta energy: -77.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -949.952901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.952901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.952901 (E_RNA)
where:
Base-Base interactions energy: -630.566
where: short stacking energy: -263.523
Base-Backbone interact. energy: -1.593
local terms energy: -317.793172
where:
bonds (distance) C4'-P energy: -60.056
bonds (distance) P-C4' energy: -70.481
flat angles C4'-P-C4' energy: -64.264
flat angles P-C4'-P energy: -44.769
tors. eta vs tors. theta energy: -78.223
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: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -848.550848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.550848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.550848 (E_RNA)
where:
Base-Base interactions energy: -552.497
where: short stacking energy: -252.768
Base-Backbone interact. energy: -0.008
local terms energy: -296.046084
where:
bonds (distance) C4'-P energy: -68.775
bonds (distance) P-C4' energy: -65.741
flat angles C4'-P-C4' energy: -54.617
flat angles P-C4'-P energy: -45.226
tors. eta vs tors. theta energy: -61.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -801.815849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.815849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.815849 (E_RNA)
where:
Base-Base interactions energy: -510.709
where: short stacking energy: -238.016
Base-Backbone interact. energy: -0.538
local terms energy: -290.568222
where:
bonds (distance) C4'-P energy: -59.864
bonds (distance) P-C4' energy: -69.079
flat angles C4'-P-C4' energy: -59.293
flat angles P-C4'-P energy: -42.999
tors. eta vs tors. theta energy: -59.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -742.876962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.876962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.876962 (E_RNA)
where:
Base-Base interactions energy: -474.907
where: short stacking energy: -205.198
Base-Backbone interact. energy: -0.979
local terms energy: -266.990552
where:
bonds (distance) C4'-P energy: -69.268
bonds (distance) P-C4' energy: -52.821
flat angles C4'-P-C4' energy: -53.451
flat angles P-C4'-P energy: -39.395
tors. eta vs tors. theta energy: -52.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -524.855646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.855646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.855646 (E_RNA)
where:
Base-Base interactions energy: -288.409
where: short stacking energy: -163.216
Base-Backbone interact. energy: -2.297
local terms energy: -234.149448
where:
bonds (distance) C4'-P energy: -47.977
bonds (distance) P-C4' energy: -60.759
flat angles C4'-P-C4' energy: -57.655
flat angles P-C4'-P energy: -41.281
tors. eta vs tors. theta energy: -26.477
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: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -390.279921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.279921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.279921 (E_RNA)
where:
Base-Base interactions energy: -195.793
where: short stacking energy: -114.579
Base-Backbone interact. energy: 0.555
local terms energy: -195.041755
where:
bonds (distance) C4'-P energy: -57.183
bonds (distance) P-C4' energy: -60.537
flat angles C4'-P-C4' energy: -39.572
flat angles P-C4'-P energy: -33.532
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -276.663677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.663677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.663677 (E_RNA)
where:
Base-Base interactions energy: -114.957
where: short stacking energy: -86.235
Base-Backbone interact. energy: 0.754
local terms energy: -162.460270
where:
bonds (distance) C4'-P energy: -61.751
bonds (distance) P-C4' energy: -64.461
flat angles C4'-P-C4' energy: -39.673
flat angles P-C4'-P energy: -17.293
tors. eta vs tors. theta energy: 20.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -269.919231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.919231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.919231 (E_RNA)
where:
Base-Base interactions energy: -108.229
where: short stacking energy: -85.372
Base-Backbone interact. energy: 1.275
local terms energy: -162.965175
where:
bonds (distance) C4'-P energy: -46.159
bonds (distance) P-C4' energy: -66.741
flat angles C4'-P-C4' energy: -48.130
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: 10.685
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: 1, replica: 8
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1004.913152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.913152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.913152 (E_RNA)
where:
Base-Base interactions energy: -675.999
where: short stacking energy: -291.007
Base-Backbone interact. energy: 1.301
local terms energy: -330.214250
where:
bonds (distance) C4'-P energy: -64.295
bonds (distance) P-C4' energy: -69.650
flat angles C4'-P-C4' energy: -68.282
flat angles P-C4'-P energy: -41.130
tors. eta vs tors. theta energy: -86.857
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: 2, replica: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -989.836906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.836906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.836906 (E_RNA)
where:
Base-Base interactions energy: -673.149
where: short stacking energy: -301.615
Base-Backbone interact. energy: -5.668
local terms energy: -311.019644
where:
bonds (distance) C4'-P energy: -55.277
bonds (distance) P-C4' energy: -61.258
flat angles C4'-P-C4' energy: -63.725
flat angles P-C4'-P energy: -48.836
tors. eta vs tors. theta energy: -81.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -908.457179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.457179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.457179 (E_RNA)
where:
Base-Base interactions energy: -608.622
where: short stacking energy: -249.174
Base-Backbone interact. energy: -0.671
local terms energy: -299.164266
where:
bonds (distance) C4'-P energy: -62.712
bonds (distance) P-C4' energy: -60.190
flat angles C4'-P-C4' energy: -60.730
flat angles P-C4'-P energy: -49.647
tors. eta vs tors. theta energy: -65.886
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: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -849.364255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.364255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.364255 (E_RNA)
where:
Base-Base interactions energy: -553.944
where: short stacking energy: -239.835
Base-Backbone interact. energy: -3.388
local terms energy: -292.032768
where:
bonds (distance) C4'-P energy: -62.228
bonds (distance) P-C4' energy: -61.747
flat angles C4'-P-C4' energy: -70.327
flat angles P-C4'-P energy: -39.004
tors. eta vs tors. theta energy: -58.727
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: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -788.760095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.760095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.760095 (E_RNA)
where:
Base-Base interactions energy: -511.064
where: short stacking energy: -237.075
Base-Backbone interact. energy: 0.508
local terms energy: -278.205046
where:
bonds (distance) C4'-P energy: -50.663
bonds (distance) P-C4' energy: -62.025
flat angles C4'-P-C4' energy: -67.705
flat angles P-C4'-P energy: -39.875
tors. eta vs tors. theta energy: -57.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -736.059468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.059468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.059468 (E_RNA)
where:
Base-Base interactions energy: -484.688
where: short stacking energy: -238.329
Base-Backbone interact. energy: -1.439
local terms energy: -249.931950
where:
bonds (distance) C4'-P energy: -48.554
bonds (distance) P-C4' energy: -64.835
flat angles C4'-P-C4' energy: -54.244
flat angles P-C4'-P energy: -28.459
tors. eta vs tors. theta energy: -53.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -537.877857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.877857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.877857 (E_RNA)
where:
Base-Base interactions energy: -296.031
where: short stacking energy: -158.423
Base-Backbone interact. energy: 0.513
local terms energy: -242.360450
where:
bonds (distance) C4'-P energy: -50.584
bonds (distance) P-C4' energy: -64.779
flat angles C4'-P-C4' energy: -61.615
flat angles P-C4'-P energy: -35.887
tors. eta vs tors. theta energy: -29.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -412.521745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.521745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.521745 (E_RNA)
where:
Base-Base interactions energy: -227.090
where: short stacking energy: -143.768
Base-Backbone interact. energy: 2.349
local terms energy: -187.780482
where:
bonds (distance) C4'-P energy: -54.700
bonds (distance) P-C4' energy: -52.760
flat angles C4'-P-C4' energy: -49.715
flat angles P-C4'-P energy: -27.336
tors. eta vs tors. theta energy: -3.270
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: 5
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -327.873845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.873845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.873845 (E_RNA)
where:
Base-Base interactions energy: -139.886
where: short stacking energy: -108.199
Base-Backbone interact. energy: 2.149
local terms energy: -190.137429
where:
bonds (distance) C4'-P energy: -48.183
bonds (distance) P-C4' energy: -52.748
flat angles C4'-P-C4' energy: -59.474
flat angles P-C4'-P energy: -36.361
tors. eta vs tors. theta energy: 6.629
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: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -274.303776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.303776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.303776 (E_RNA)
where:
Base-Base interactions energy: -98.246
where: short stacking energy: -67.963
Base-Backbone interact. energy: 0.338
local terms energy: -176.395684
where:
bonds (distance) C4'-P energy: -56.867
bonds (distance) P-C4' energy: -61.578
flat angles C4'-P-C4' energy: -44.085
flat angles P-C4'-P energy: -27.304
tors. eta vs tors. theta energy: 13.438
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: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1028.182828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.182828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.182828 (E_RNA)
where:
Base-Base interactions energy: -678.348
where: short stacking energy: -312.246
Base-Backbone interact. energy: -1.182
local terms energy: -348.652380
where:
bonds (distance) C4'-P energy: -70.047
bonds (distance) P-C4' energy: -67.767
flat angles C4'-P-C4' energy: -68.933
flat angles P-C4'-P energy: -52.561
tors. eta vs tors. theta energy: -89.344
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: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -987.014118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.014118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.014118 (E_RNA)
where:
Base-Base interactions energy: -676.040
where: short stacking energy: -289.513
Base-Backbone interact. energy: -2.985
local terms energy: -307.989629
where:
bonds (distance) C4'-P energy: -52.479
bonds (distance) P-C4' energy: -67.942
flat angles C4'-P-C4' energy: -64.198
flat angles P-C4'-P energy: -50.501
tors. eta vs tors. theta energy: -72.871
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: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -933.274111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.274111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.274111 (E_RNA)
where:
Base-Base interactions energy: -618.853
where: short stacking energy: -272.375
Base-Backbone interact. energy: -1.079
local terms energy: -313.342292
where:
bonds (distance) C4'-P energy: -60.466
bonds (distance) P-C4' energy: -68.182
flat angles C4'-P-C4' energy: -67.601
flat angles P-C4'-P energy: -47.338
tors. eta vs tors. theta energy: -69.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -839.836442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.836442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.836442 (E_RNA)
where:
Base-Base interactions energy: -553.210
where: short stacking energy: -254.109
Base-Backbone interact. energy: -0.444
local terms energy: -286.182944
where:
bonds (distance) C4'-P energy: -44.574
bonds (distance) P-C4' energy: -56.721
flat angles C4'-P-C4' energy: -69.683
flat angles P-C4'-P energy: -46.811
tors. eta vs tors. theta energy: -68.395
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: 4
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -768.258151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.258151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.258151 (E_RNA)
where:
Base-Base interactions energy: -510.744
where: short stacking energy: -220.767
Base-Backbone interact. energy: 3.578
local terms energy: -261.340689
where:
bonds (distance) C4'-P energy: -45.483
bonds (distance) P-C4' energy: -65.938
flat angles C4'-P-C4' energy: -62.183
flat angles P-C4'-P energy: -25.303
tors. eta vs tors. theta energy: -62.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.249 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -712.870472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.870472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.870472 (E_RNA)
where:
Base-Base interactions energy: -456.169
where: short stacking energy: -211.086
Base-Backbone interact. energy: -1.257
local terms energy: -255.444124
where:
bonds (distance) C4'-P energy: -43.346
bonds (distance) P-C4' energy: -58.197
flat angles C4'-P-C4' energy: -56.317
flat angles P-C4'-P energy: -46.567
tors. eta vs tors. theta energy: -51.017
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: 3
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -561.181565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.181565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.181565 (E_RNA)
where:
Base-Base interactions energy: -312.492
where: short stacking energy: -174.163
Base-Backbone interact. energy: -0.181
local terms energy: -248.508761
where:
bonds (distance) C4'-P energy: -54.847
bonds (distance) P-C4' energy: -56.529
flat angles C4'-P-C4' energy: -56.390
flat angles P-C4'-P energy: -44.814
tors. eta vs tors. theta energy: -35.927
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: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -371.296251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.296251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.296251 (E_RNA)
where:
Base-Base interactions energy: -164.968
where: short stacking energy: -97.952
Base-Backbone interact. energy: -2.560
local terms energy: -203.768146
where:
bonds (distance) C4'-P energy: -55.248
bonds (distance) P-C4' energy: -62.468
flat angles C4'-P-C4' energy: -46.519
flat angles P-C4'-P energy: -35.426
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -291.643093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.643093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.643093 (E_RNA)
where:
Base-Base interactions energy: -100.721
where: short stacking energy: -87.387
Base-Backbone interact. energy: 0.847
local terms energy: -191.768748
where:
bonds (distance) C4'-P energy: -50.073
bonds (distance) P-C4' energy: -54.088
flat angles C4'-P-C4' energy: -51.731
flat angles P-C4'-P energy: -32.831
tors. eta vs tors. theta energy: -3.046
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: 10, replica: 5
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -275.623482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.623482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.623482 (E_RNA)
where:
Base-Base interactions energy: -95.684
where: short stacking energy: -89.610
Base-Backbone interact. energy: 4.485
local terms energy: -184.424963
where:
bonds (distance) C4'-P energy: -50.011
bonds (distance) P-C4' energy: -65.669
flat angles C4'-P-C4' energy: -41.954
flat angles P-C4'-P energy: -33.237
tors. eta vs tors. theta energy: 6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1008.052192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.052192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.052192 (E_RNA)
where:
Base-Base interactions energy: -676.928
where: short stacking energy: -289.463
Base-Backbone interact. energy: -2.386
local terms energy: -328.737865
where:
bonds (distance) C4'-P energy: -61.668
bonds (distance) P-C4' energy: -60.851
flat angles C4'-P-C4' energy: -73.922
flat angles P-C4'-P energy: -53.250
tors. eta vs tors. theta energy: -79.047
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: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1011.353229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.353229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.353229 (E_RNA)
where:
Base-Base interactions energy: -687.742
where: short stacking energy: -285.287
Base-Backbone interact. energy: -3.843
local terms energy: -319.768888
where:
bonds (distance) C4'-P energy: -60.775
bonds (distance) P-C4' energy: -54.351
flat angles C4'-P-C4' energy: -73.601
flat angles P-C4'-P energy: -50.034
tors. eta vs tors. theta energy: -81.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -948.617784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.617784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.617784 (E_RNA)
where:
Base-Base interactions energy: -648.852
where: short stacking energy: -289.987
Base-Backbone interact. energy: -0.299
local terms energy: -299.467368
where:
bonds (distance) C4'-P energy: -41.407
bonds (distance) P-C4' energy: -60.946
flat angles C4'-P-C4' energy: -71.114
flat angles P-C4'-P energy: -46.187
tors. eta vs tors. theta energy: -79.814
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: 4, replica: 1
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -852.336268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.336268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.336268 (E_RNA)
where:
Base-Base interactions energy: -561.550
where: short stacking energy: -258.676
Base-Backbone interact. energy: -2.153
local terms energy: -288.632483
where:
bonds (distance) C4'-P energy: -67.004
bonds (distance) P-C4' energy: -55.227
flat angles C4'-P-C4' energy: -59.748
flat angles P-C4'-P energy: -39.797
tors. eta vs tors. theta energy: -66.857
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: 91
Temperature: 1.100000
Total energy: -801.504192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.504192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.504192 (E_RNA)
where:
Base-Base interactions energy: -504.357
where: short stacking energy: -245.109
Base-Backbone interact. energy: -1.489
local terms energy: -295.658162
where:
bonds (distance) C4'-P energy: -56.387
bonds (distance) P-C4' energy: -60.771
flat angles C4'-P-C4' energy: -62.780
flat angles P-C4'-P energy: -48.297
tors. eta vs tors. theta energy: -67.423
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: 6, replica: 10
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -755.007125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.007125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.007125 (E_RNA)
where:
Base-Base interactions energy: -480.831
where: short stacking energy: -223.328
Base-Backbone interact. energy: -0.699
local terms energy: -273.476826
where:
bonds (distance) C4'-P energy: -57.191
bonds (distance) P-C4' energy: -52.937
flat angles C4'-P-C4' energy: -60.184
flat angles P-C4'-P energy: -43.570
tors. eta vs tors. theta energy: -59.595
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: 7, replica: 3
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -542.788286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.788286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.788286 (E_RNA)
where:
Base-Base interactions energy: -314.289
where: short stacking energy: -184.864
Base-Backbone interact. energy: -1.651
local terms energy: -226.848594
where:
bonds (distance) C4'-P energy: -51.851
bonds (distance) P-C4' energy: -39.618
flat angles C4'-P-C4' energy: -56.205
flat angles P-C4'-P energy: -38.629
tors. eta vs tors. theta energy: -40.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -376.796149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.796149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.796149 (E_RNA)
where:
Base-Base interactions energy: -181.662
where: short stacking energy: -142.122
Base-Backbone interact. energy: 0.651
local terms energy: -195.785097
where:
bonds (distance) C4'-P energy: -42.934
bonds (distance) P-C4' energy: -56.765
flat angles C4'-P-C4' energy: -62.187
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -17.892
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: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -268.954988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.954988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.954988 (E_RNA)
where:
Base-Base interactions energy: -96.531
where: short stacking energy: -87.075
Base-Backbone interact. energy: -1.169
local terms energy: -171.254350
where:
bonds (distance) C4'-P energy: -55.137
bonds (distance) P-C4' energy: -42.784
flat angles C4'-P-C4' energy: -52.947
flat angles P-C4'-P energy: -31.020
tors. eta vs tors. theta energy: 10.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -267.803765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.803765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.803765 (E_RNA)
where:
Base-Base interactions energy: -112.931
where: short stacking energy: -76.025
Base-Backbone interact. energy: 1.993
local terms energy: -156.866081
where:
bonds (distance) C4'-P energy: -56.320
bonds (distance) P-C4' energy: -63.008
flat angles C4'-P-C4' energy: -38.048
flat angles P-C4'-P energy: -20.348
tors. eta vs tors. theta energy: 20.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1035.801650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.801650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.801650 (E_RNA)
where:
Base-Base interactions energy: -699.409
where: short stacking energy: -302.336
Base-Backbone interact. energy: -1.887
local terms energy: -334.505420
where:
bonds (distance) C4'-P energy: -71.744
bonds (distance) P-C4' energy: -58.811
flat angles C4'-P-C4' energy: -71.279
flat angles P-C4'-P energy: -50.105
tors. eta vs tors. theta energy: -82.566
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: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1002.362225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.362225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.362225 (E_RNA)
where:
Base-Base interactions energy: -695.027
where: short stacking energy: -292.965
Base-Backbone interact. energy: -2.274
local terms energy: -305.061826
where:
bonds (distance) C4'-P energy: -54.262
bonds (distance) P-C4' energy: -64.624
flat angles C4'-P-C4' energy: -65.178
flat angles P-C4'-P energy: -42.641
tors. eta vs tors. theta energy: -78.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -954.995784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.995784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.995784 (E_RNA)
where:
Base-Base interactions energy: -630.410
where: short stacking energy: -267.748
Base-Backbone interact. energy: -3.099
local terms energy: -321.486418
where:
bonds (distance) C4'-P energy: -55.881
bonds (distance) P-C4' energy: -68.850
flat angles C4'-P-C4' energy: -68.277
flat angles P-C4'-P energy: -54.198
tors. eta vs tors. theta energy: -74.279
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: 4, replica: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -832.209039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.209039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.209039 (E_RNA)
where:
Base-Base interactions energy: -549.400
where: short stacking energy: -247.929
Base-Backbone interact. energy: 5.474
local terms energy: -288.282980
where:
bonds (distance) C4'-P energy: -60.972
bonds (distance) P-C4' energy: -62.463
flat angles C4'-P-C4' energy: -64.297
flat angles P-C4'-P energy: -37.538
tors. eta vs tors. theta energy: -63.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -784.671684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.671684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.671684 (E_RNA)
where:
Base-Base interactions energy: -508.882
where: short stacking energy: -220.776
Base-Backbone interact. energy: -1.869
local terms energy: -274.580597
where:
bonds (distance) C4'-P energy: -57.947
bonds (distance) P-C4' energy: -63.925
flat angles C4'-P-C4' energy: -63.780
flat angles P-C4'-P energy: -39.476
tors. eta vs tors. theta energy: -49.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.660 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -766.679989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.679989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.679989 (E_RNA)
where:
Base-Base interactions energy: -485.604
where: short stacking energy: -234.443
Base-Backbone interact. energy: -2.523
local terms energy: -278.552616
where:
bonds (distance) C4'-P energy: -47.868
bonds (distance) P-C4' energy: -60.805
flat angles C4'-P-C4' energy: -62.715
flat angles P-C4'-P energy: -43.716
tors. eta vs tors. theta energy: -63.449
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: 3
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -494.674225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.674225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.674225 (E_RNA)
where:
Base-Base interactions energy: -263.188
where: short stacking energy: -145.356
Base-Backbone interact. energy: 0.192
local terms energy: -231.678374
where:
bonds (distance) C4'-P energy: -51.888
bonds (distance) P-C4' energy: -61.919
flat angles C4'-P-C4' energy: -62.644
flat angles P-C4'-P energy: -33.448
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -351.524340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.524340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.524340 (E_RNA)
where:
Base-Base interactions energy: -177.341
where: short stacking energy: -108.981
Base-Backbone interact. energy: -0.785
local terms energy: -173.397458
where:
bonds (distance) C4'-P energy: -32.825
bonds (distance) P-C4' energy: -62.410
flat angles C4'-P-C4' energy: -52.597
flat angles P-C4'-P energy: -28.403
tors. eta vs tors. theta energy: 2.838
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: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -332.432358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.432358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.432358 (E_RNA)
where:
Base-Base interactions energy: -145.170
where: short stacking energy: -84.513
Base-Backbone interact. energy: -0.746
local terms energy: -186.516777
where:
bonds (distance) C4'-P energy: -56.773
bonds (distance) P-C4' energy: -54.835
flat angles C4'-P-C4' energy: -48.920
flat angles P-C4'-P energy: -29.426
tors. eta vs tors. theta energy: 3.438
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: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -291.383948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.383948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.383948 (E_RNA)
where:
Base-Base interactions energy: -93.871
where: short stacking energy: -83.050
Base-Backbone interact. energy: -1.947
local terms energy: -195.566367
where:
bonds (distance) C4'-P energy: -56.845
bonds (distance) P-C4' energy: -64.170
flat angles C4'-P-C4' energy: -42.204
flat angles P-C4'-P energy: -34.031
tors. eta vs tors. theta energy: 1.684
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: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1044.882604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.882604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.882604 (E_RNA)
where:
Base-Base interactions energy: -708.978
where: short stacking energy: -298.753
Base-Backbone interact. energy: -0.832
local terms energy: -335.072082
where:
bonds (distance) C4'-P energy: -53.612
bonds (distance) P-C4' energy: -61.971
flat angles C4'-P-C4' energy: -76.288
flat angles P-C4'-P energy: -49.786
tors. eta vs tors. theta energy: -93.416
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: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -997.983881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.983881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.983881 (E_RNA)
where:
Base-Base interactions energy: -664.705
where: short stacking energy: -294.084
Base-Backbone interact. energy: -1.779
local terms energy: -331.500361
where:
bonds (distance) C4'-P energy: -63.475
bonds (distance) P-C4' energy: -62.855
flat angles C4'-P-C4' energy: -82.287
flat angles P-C4'-P energy: -41.966
tors. eta vs tors. theta energy: -80.917
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: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -913.355514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.355514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.355514 (E_RNA)
where:
Base-Base interactions energy: -619.791
where: short stacking energy: -269.578
Base-Backbone interact. energy: -1.074
local terms energy: -292.490303
where:
bonds (distance) C4'-P energy: -60.401
bonds (distance) P-C4' energy: -63.486
flat angles C4'-P-C4' energy: -68.085
flat angles P-C4'-P energy: -37.466
tors. eta vs tors. theta energy: -63.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -844.542320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.542320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.542320 (E_RNA)
where:
Base-Base interactions energy: -545.911
where: short stacking energy: -232.426
Base-Backbone interact. energy: -2.626
local terms energy: -296.005805
where:
bonds (distance) C4'-P energy: -57.601
bonds (distance) P-C4' energy: -71.066
flat angles C4'-P-C4' energy: -65.464
flat angles P-C4'-P energy: -42.321
tors. eta vs tors. theta energy: -59.554
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: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -810.852551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.852551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.852551 (E_RNA)
where:
Base-Base interactions energy: -504.843
where: short stacking energy: -234.250
Base-Backbone interact. energy: -2.331
local terms energy: -303.815088
where:
bonds (distance) C4'-P energy: -63.308
bonds (distance) P-C4' energy: -65.804
flat angles C4'-P-C4' energy: -63.189
flat angles P-C4'-P energy: -38.842
tors. eta vs tors. theta energy: -72.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.137 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -785.231189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.231189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.231189 (E_RNA)
where:
Base-Base interactions energy: -513.396
where: short stacking energy: -233.447
Base-Backbone interact. energy: 2.560
local terms energy: -274.395635
where:
bonds (distance) C4'-P energy: -59.738
bonds (distance) P-C4' energy: -63.598
flat angles C4'-P-C4' energy: -53.219
flat angles P-C4'-P energy: -35.472
tors. eta vs tors. theta energy: -62.368
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: 93
Temperature: 1.200000
Total energy: -559.488636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.488636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.488636 (E_RNA)
where:
Base-Base interactions energy: -331.249
where: short stacking energy: -163.077
Base-Backbone interact. energy: -2.549
local terms energy: -225.690349
where:
bonds (distance) C4'-P energy: -42.598
bonds (distance) P-C4' energy: -62.332
flat angles C4'-P-C4' energy: -52.435
flat angles P-C4'-P energy: -40.958
tors. eta vs tors. theta energy: -27.366
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: 6
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -362.309233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.309233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.309233 (E_RNA)
where:
Base-Base interactions energy: -170.450
where: short stacking energy: -97.645
Base-Backbone interact. energy: 5.826
local terms energy: -197.684999
where:
bonds (distance) C4'-P energy: -57.395
bonds (distance) P-C4' energy: -64.285
flat angles C4'-P-C4' energy: -52.719
flat angles P-C4'-P energy: -25.655
tors. eta vs tors. theta energy: 2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -331.964052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.964052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.964052 (E_RNA)
where:
Base-Base interactions energy: -130.103
where: short stacking energy: -85.303
Base-Backbone interact. energy: 1.838
local terms energy: -203.699019
where:
bonds (distance) C4'-P energy: -62.568
bonds (distance) P-C4' energy: -73.964
flat angles C4'-P-C4' energy: -43.694
flat angles P-C4'-P energy: -27.457
tors. eta vs tors. theta energy: 3.984
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: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -281.449415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.449415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.449415 (E_RNA)
where:
Base-Base interactions energy: -87.625
where: short stacking energy: -82.666
Base-Backbone interact. energy: -0.707
local terms energy: -194.790584
where:
bonds (distance) C4'-P energy: -43.223
bonds (distance) P-C4' energy: -65.457
flat angles C4'-P-C4' energy: -65.722
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -5.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.673 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1053.740566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.740566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.740566 (E_RNA)
where:
Base-Base interactions energy: -713.685
where: short stacking energy: -292.511
Base-Backbone interact. energy: -1.345
local terms energy: -338.710211
where:
bonds (distance) C4'-P energy: -57.824
bonds (distance) P-C4' energy: -71.430
flat angles C4'-P-C4' energy: -73.513
flat angles P-C4'-P energy: -49.618
tors. eta vs tors. theta energy: -86.326
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: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -993.103115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.103115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.103115 (E_RNA)
where:
Base-Base interactions energy: -665.860
where: short stacking energy: -303.997
Base-Backbone interact. energy: -2.806
local terms energy: -324.437737
where:
bonds (distance) C4'-P energy: -66.435
bonds (distance) P-C4' energy: -60.502
flat angles C4'-P-C4' energy: -67.935
flat angles P-C4'-P energy: -48.477
tors. eta vs tors. theta energy: -81.089
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: 2
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -904.542427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.542427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.542427 (E_RNA)
where:
Base-Base interactions energy: -590.085
where: short stacking energy: -260.608
Base-Backbone interact. energy: -0.823
local terms energy: -313.633625
where:
bonds (distance) C4'-P energy: -59.151
bonds (distance) P-C4' energy: -68.257
flat angles C4'-P-C4' energy: -64.194
flat angles P-C4'-P energy: -45.051
tors. eta vs tors. theta energy: -76.981
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: 4, replica: 1
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -844.687750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.687750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.687750 (E_RNA)
where:
Base-Base interactions energy: -549.899
where: short stacking energy: -239.426
Base-Backbone interact. energy: -2.604
local terms energy: -292.185098
where:
bonds (distance) C4'-P energy: -61.307
bonds (distance) P-C4' energy: -67.100
flat angles C4'-P-C4' energy: -68.073
flat angles P-C4'-P energy: -42.695
tors. eta vs tors. theta energy: -53.010
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: 4
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -800.065953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.065953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.065953 (E_RNA)
where:
Base-Base interactions energy: -515.537
where: short stacking energy: -242.497
Base-Backbone interact. energy: 1.274
local terms energy: -285.802792
where:
bonds (distance) C4'-P energy: -55.462
bonds (distance) P-C4' energy: -62.244
flat angles C4'-P-C4' energy: -66.301
flat angles P-C4'-P energy: -38.530
tors. eta vs tors. theta energy: -63.266
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: 10
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -744.157479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.157479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.157479 (E_RNA)
where:
Base-Base interactions energy: -477.059
where: short stacking energy: -224.618
Base-Backbone interact. energy: -0.513
local terms energy: -266.584812
where:
bonds (distance) C4'-P energy: -61.288
bonds (distance) P-C4' energy: -61.807
flat angles C4'-P-C4' energy: -52.962
flat angles P-C4'-P energy: -33.243
tors. eta vs tors. theta energy: -57.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -478.071759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.071759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.071759 (E_RNA)
where:
Base-Base interactions energy: -249.174
where: short stacking energy: -138.929
Base-Backbone interact. energy: -1.795
local terms energy: -227.102394
where:
bonds (distance) C4'-P energy: -51.953
bonds (distance) P-C4' energy: -58.412
flat angles C4'-P-C4' energy: -57.711
flat angles P-C4'-P energy: -36.084
tors. eta vs tors. theta energy: -22.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -398.425369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.425369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.425369 (E_RNA)
where:
Base-Base interactions energy: -188.903
where: short stacking energy: -117.588
Base-Backbone interact. energy: -1.093
local terms energy: -208.429280
where:
bonds (distance) C4'-P energy: -61.680
bonds (distance) P-C4' energy: -46.375
flat angles C4'-P-C4' energy: -57.420
flat angles P-C4'-P energy: -34.536
tors. eta vs tors. theta energy: -8.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -392.484607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.484607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.484607 (E_RNA)
where:
Base-Base interactions energy: -187.980
where: short stacking energy: -116.151
Base-Backbone interact. energy: -1.651
local terms energy: -202.853875
where:
bonds (distance) C4'-P energy: -56.367
bonds (distance) P-C4' energy: -55.335
flat angles C4'-P-C4' energy: -55.240
flat angles P-C4'-P energy: -30.739
tors. eta vs tors. theta energy: -5.173
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: 10, replica: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -277.963887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.963887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.963887 (E_RNA)
where:
Base-Base interactions energy: -97.288
where: short stacking energy: -79.446
Base-Backbone interact. energy: -0.425
local terms energy: -180.251320
where:
bonds (distance) C4'-P energy: -61.734
bonds (distance) P-C4' energy: -47.907
flat angles C4'-P-C4' energy: -51.141
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: 8.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1056.502603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.502603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.502603 (E_RNA)
where:
Base-Base interactions energy: -712.216
where: short stacking energy: -309.536
Base-Backbone interact. energy: -1.901
local terms energy: -342.385547
where:
bonds (distance) C4'-P energy: -68.037
bonds (distance) P-C4' energy: -69.988
flat angles C4'-P-C4' energy: -70.042
flat angles P-C4'-P energy: -51.890
tors. eta vs tors. theta energy: -82.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1008.502628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.502628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.502628 (E_RNA)
where:
Base-Base interactions energy: -690.405
where: short stacking energy: -296.686
Base-Backbone interact. energy: -1.947
local terms energy: -316.150373
where:
bonds (distance) C4'-P energy: -59.514
bonds (distance) P-C4' energy: -64.286
flat angles C4'-P-C4' energy: -65.120
flat angles P-C4'-P energy: -50.145
tors. eta vs tors. theta energy: -77.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -941.124109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.124109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.124109 (E_RNA)
where:
Base-Base interactions energy: -624.696
where: short stacking energy: -277.600
Base-Backbone interact. energy: 0.399
local terms energy: -316.827240
where:
bonds (distance) C4'-P energy: -60.291
bonds (distance) P-C4' energy: -68.256
flat angles C4'-P-C4' energy: -66.278
flat angles P-C4'-P energy: -47.677
tors. eta vs tors. theta energy: -74.326
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: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -862.364554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.364554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.364554 (E_RNA)
where:
Base-Base interactions energy: -575.859
where: short stacking energy: -263.334
Base-Backbone interact. energy: -3.325
local terms energy: -283.180573
where:
bonds (distance) C4'-P energy: -50.222
bonds (distance) P-C4' energy: -65.139
flat angles C4'-P-C4' energy: -53.712
flat angles P-C4'-P energy: -49.998
tors. eta vs tors. theta energy: -64.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -819.944683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.944683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.944683 (E_RNA)
where:
Base-Base interactions energy: -532.357
where: short stacking energy: -229.895
Base-Backbone interact. energy: 0.432
local terms energy: -288.019221
where:
bonds (distance) C4'-P energy: -57.413
bonds (distance) P-C4' energy: -70.206
flat angles C4'-P-C4' energy: -63.823
flat angles P-C4'-P energy: -34.805
tors. eta vs tors. theta energy: -61.773
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: 6, replica: 10
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -721.949899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.949899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.949899 (E_RNA)
where:
Base-Base interactions energy: -460.795
where: short stacking energy: -202.264
Base-Backbone interact. energy: -1.458
local terms energy: -259.697235
where:
bonds (distance) C4'-P energy: -49.589
bonds (distance) P-C4' energy: -62.644
flat angles C4'-P-C4' energy: -68.232
flat angles P-C4'-P energy: -32.887
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: 7, replica: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -557.057688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.057688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.057688 (E_RNA)
where:
Base-Base interactions energy: -336.738
where: short stacking energy: -165.988
Base-Backbone interact. energy: -0.770
local terms energy: -219.549741
where:
bonds (distance) C4'-P energy: -54.101
bonds (distance) P-C4' energy: -50.378
flat angles C4'-P-C4' energy: -46.336
flat angles P-C4'-P energy: -44.679
tors. eta vs tors. theta energy: -24.056
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: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -424.735410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.735410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.735410 (E_RNA)
where:
Base-Base interactions energy: -222.742
where: short stacking energy: -122.950
Base-Backbone interact. energy: -1.211
local terms energy: -200.782329
where:
bonds (distance) C4'-P energy: -58.411
bonds (distance) P-C4' energy: -62.814
flat angles C4'-P-C4' energy: -55.540
flat angles P-C4'-P energy: -21.425
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: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -330.525717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.525717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.525717 (E_RNA)
where:
Base-Base interactions energy: -155.741
where: short stacking energy: -96.361
Base-Backbone interact. energy: 1.494
local terms energy: -176.278169
where:
bonds (distance) C4'-P energy: -40.644
bonds (distance) P-C4' energy: -57.605
flat angles C4'-P-C4' energy: -54.031
flat angles P-C4'-P energy: -32.556
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: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -279.304346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.304346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.304346 (E_RNA)
where:
Base-Base interactions energy: -81.641
where: short stacking energy: -73.193
Base-Backbone interact. energy: -1.805
local terms energy: -195.857937
where:
bonds (distance) C4'-P energy: -49.444
bonds (distance) P-C4' energy: -64.732
flat angles C4'-P-C4' energy: -55.939
flat angles P-C4'-P energy: -27.751
tors. eta vs tors. theta energy: 2.009
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: 1, replica: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1054.021634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.021634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.021634 (E_RNA)
where:
Base-Base interactions energy: -732.791
where: short stacking energy: -289.827
Base-Backbone interact. energy: -1.185
local terms energy: -320.045306
where:
bonds (distance) C4'-P energy: -61.227
bonds (distance) P-C4' energy: -65.601
flat angles C4'-P-C4' energy: -74.176
flat angles P-C4'-P energy: -39.343
tors. eta vs tors. theta energy: -79.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1007.749270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.749270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.749270 (E_RNA)
where:
Base-Base interactions energy: -684.577
where: short stacking energy: -319.487
Base-Backbone interact. energy: 0.496
local terms energy: -323.668311
where:
bonds (distance) C4'-P energy: -53.616
bonds (distance) P-C4' energy: -77.245
flat angles C4'-P-C4' energy: -63.860
flat angles P-C4'-P energy: -47.238
tors. eta vs tors. theta energy: -81.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -895.878078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.878078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.878078 (E_RNA)
where:
Base-Base interactions energy: -590.145
where: short stacking energy: -256.169
Base-Backbone interact. energy: -3.213
local terms energy: -302.519857
where:
bonds (distance) C4'-P energy: -58.325
bonds (distance) P-C4' energy: -62.989
flat angles C4'-P-C4' energy: -69.963
flat angles P-C4'-P energy: -45.735
tors. eta vs tors. theta energy: -65.508
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: 4, replica: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -851.962277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.962277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.962277 (E_RNA)
where:
Base-Base interactions energy: -555.020
where: short stacking energy: -258.378
Base-Backbone interact. energy: 0.950
local terms energy: -297.998444
where:
bonds (distance) C4'-P energy: -60.968
bonds (distance) P-C4' energy: -70.217
flat angles C4'-P-C4' energy: -69.264
flat angles P-C4'-P energy: -33.044
tors. eta vs tors. theta energy: -64.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.107 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -772.289782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.289782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.289782 (E_RNA)
where:
Base-Base interactions energy: -487.973
where: short stacking energy: -205.149
Base-Backbone interact. energy: -0.854
local terms energy: -283.463607
where:
bonds (distance) C4'-P energy: -56.442
bonds (distance) P-C4' energy: -65.419
flat angles C4'-P-C4' energy: -58.842
flat angles P-C4'-P energy: -42.064
tors. eta vs tors. theta energy: -60.696
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: 1
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -743.672067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.672067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.672067 (E_RNA)
where:
Base-Base interactions energy: -483.790
where: short stacking energy: -205.278
Base-Backbone interact. energy: 1.187
local terms energy: -261.068430
where:
bonds (distance) C4'-P energy: -62.703
bonds (distance) P-C4' energy: -48.606
flat angles C4'-P-C4' energy: -57.497
flat angles P-C4'-P energy: -36.318
tors. eta vs tors. theta energy: -55.946
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: 3
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -561.428459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.428459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.428459 (E_RNA)
where:
Base-Base interactions energy: -317.774
where: short stacking energy: -173.660
Base-Backbone interact. energy: -0.450
local terms energy: -243.204382
where:
bonds (distance) C4'-P energy: -66.069
bonds (distance) P-C4' energy: -65.395
flat angles C4'-P-C4' energy: -44.707
flat angles P-C4'-P energy: -35.924
tors. eta vs tors. theta energy: -31.109
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: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -417.394513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.394513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.394513 (E_RNA)
where:
Base-Base interactions energy: -219.424
where: short stacking energy: -123.562
Base-Backbone interact. energy: -2.215
local terms energy: -195.755149
where:
bonds (distance) C4'-P energy: -58.830
bonds (distance) P-C4' energy: -43.142
flat angles C4'-P-C4' energy: -50.134
flat angles P-C4'-P energy: -27.995
tors. eta vs tors. theta energy: -15.654
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: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -349.990253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.990253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.990253 (E_RNA)
where:
Base-Base interactions energy: -152.316
where: short stacking energy: -87.203
Base-Backbone interact. energy: -1.414
local terms energy: -198.209836
where:
bonds (distance) C4'-P energy: -63.671
bonds (distance) P-C4' energy: -61.429
flat angles C4'-P-C4' energy: -36.433
flat angles P-C4'-P energy: -35.242
tors. eta vs tors. theta energy: -1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.950 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -275.896248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.896248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.896248 (E_RNA)
where:
Base-Base interactions energy: -80.790
where: short stacking energy: -65.273
Base-Backbone interact. energy: 1.232
local terms energy: -196.338029
where:
bonds (distance) C4'-P energy: -62.934
bonds (distance) P-C4' energy: -59.291
flat angles C4'-P-C4' energy: -42.262
flat angles P-C4'-P energy: -41.010
tors. eta vs tors. theta energy: 9.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1089.202006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.202006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.202006 (E_RNA)
where:
Base-Base interactions energy: -749.834
where: short stacking energy: -306.902
Base-Backbone interact. energy: -2.682
local terms energy: -336.685981
where:
bonds (distance) C4'-P energy: -69.153
bonds (distance) P-C4' energy: -59.606
flat angles C4'-P-C4' energy: -66.459
flat angles P-C4'-P energy: -47.320
tors. eta vs tors. theta energy: -94.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -982.623024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.623024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.623024 (E_RNA)
where:
Base-Base interactions energy: -657.845
where: short stacking energy: -299.640
Base-Backbone interact. energy: -3.521
local terms energy: -321.257648
where:
bonds (distance) C4'-P energy: -59.186
bonds (distance) P-C4' energy: -68.195
flat angles C4'-P-C4' energy: -74.910
flat angles P-C4'-P energy: -39.685
tors. eta vs tors. theta energy: -79.281
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: 2
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -891.450305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.450305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.450305 (E_RNA)
where:
Base-Base interactions energy: -607.116
where: short stacking energy: -266.055
Base-Backbone interact. energy: 1.022
local terms energy: -285.356909
where:
bonds (distance) C4'-P energy: -60.593
bonds (distance) P-C4' energy: -69.585
flat angles C4'-P-C4' energy: -66.682
flat angles P-C4'-P energy: -29.511
tors. eta vs tors. theta energy: -58.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -801.918253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.918253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.918253 (E_RNA)
where:
Base-Base interactions energy: -503.887
where: short stacking energy: -232.794
Base-Backbone interact. energy: -0.785
local terms energy: -297.245592
where:
bonds (distance) C4'-P energy: -52.712
bonds (distance) P-C4' energy: -61.622
flat angles C4'-P-C4' energy: -69.390
flat angles P-C4'-P energy: -42.314
tors. eta vs tors. theta energy: -71.208
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: 97
Temperature: 1.100000
Total energy: -784.940232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.940232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.940232 (E_RNA)
where:
Base-Base interactions energy: -503.038
where: short stacking energy: -213.478
Base-Backbone interact. energy: 1.192
local terms energy: -283.094623
where:
bonds (distance) C4'-P energy: -59.373
bonds (distance) P-C4' energy: -65.398
flat angles C4'-P-C4' energy: -65.129
flat angles P-C4'-P energy: -43.689
tors. eta vs tors. theta energy: -49.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -727.116725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.116725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.116725 (E_RNA)
where:
Base-Base interactions energy: -481.463
where: short stacking energy: -203.067
Base-Backbone interact. energy: -1.226
local terms energy: -244.427731
where:
bonds (distance) C4'-P energy: -52.420
bonds (distance) P-C4' energy: -54.398
flat angles C4'-P-C4' energy: -57.795
flat angles P-C4'-P energy: -41.298
tors. eta vs tors. theta energy: -38.516
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: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -551.511547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.511547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.511547 (E_RNA)
where:
Base-Base interactions energy: -322.142
where: short stacking energy: -174.468
Base-Backbone interact. energy: 1.180
local terms energy: -232.157896
where:
bonds (distance) C4'-P energy: -50.157
bonds (distance) P-C4' energy: -68.964
flat angles C4'-P-C4' energy: -49.964
flat angles P-C4'-P energy: -31.817
tors. eta vs tors. theta energy: -31.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.608 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -404.325439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.325439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.325439 (E_RNA)
where:
Base-Base interactions energy: -195.307
where: short stacking energy: -120.971
Base-Backbone interact. energy: 0.590
local terms energy: -209.608613
where:
bonds (distance) C4'-P energy: -54.091
bonds (distance) P-C4' energy: -68.557
flat angles C4'-P-C4' energy: -49.377
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -13.774
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: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -342.774905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.774905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.774905 (E_RNA)
where:
Base-Base interactions energy: -148.963
where: short stacking energy: -100.619
Base-Backbone interact. energy: -0.517
local terms energy: -193.294843
where:
bonds (distance) C4'-P energy: -47.953
bonds (distance) P-C4' energy: -49.802
flat angles C4'-P-C4' energy: -59.358
flat angles P-C4'-P energy: -40.357
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: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -270.569991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.569991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.569991 (E_RNA)
where:
Base-Base interactions energy: -91.631
where: short stacking energy: -80.426
Base-Backbone interact. energy: 4.480
local terms energy: -183.455707
where:
bonds (distance) C4'-P energy: -46.172
bonds (distance) P-C4' energy: -70.309
flat angles C4'-P-C4' energy: -43.628
flat angles P-C4'-P energy: -25.252
tors. eta vs tors. theta energy: 1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.036 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1074.329194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.329194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.329194 (E_RNA)
where:
Base-Base interactions energy: -731.837
where: short stacking energy: -317.312
Base-Backbone interact. energy: -0.938
local terms energy: -341.554950
where:
bonds (distance) C4'-P energy: -56.494
bonds (distance) P-C4' energy: -69.681
flat angles C4'-P-C4' energy: -70.047
flat angles P-C4'-P energy: -58.120
tors. eta vs tors. theta energy: -87.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1009.309539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.309539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.309539 (E_RNA)
where:
Base-Base interactions energy: -675.007
where: short stacking energy: -315.117
Base-Backbone interact. energy: -3.294
local terms energy: -331.008181
where:
bonds (distance) C4'-P energy: -56.215
bonds (distance) P-C4' energy: -67.223
flat angles C4'-P-C4' energy: -67.353
flat angles P-C4'-P energy: -54.216
tors. eta vs tors. theta energy: -86.001
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: 2
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -909.772269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.772269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.772269 (E_RNA)
where:
Base-Base interactions energy: -584.129
where: short stacking energy: -280.945
Base-Backbone interact. energy: -0.391
local terms energy: -325.252081
where:
bonds (distance) C4'-P energy: -57.211
bonds (distance) P-C4' energy: -65.329
flat angles C4'-P-C4' energy: -77.445
flat angles P-C4'-P energy: -56.974
tors. eta vs tors. theta energy: -68.293
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: 4, replica: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -863.016779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.016779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.016779 (E_RNA)
where:
Base-Base interactions energy: -566.029
where: short stacking energy: -269.538
Base-Backbone interact. energy: -0.631
local terms energy: -296.357404
where:
bonds (distance) C4'-P energy: -56.341
bonds (distance) P-C4' energy: -62.527
flat angles C4'-P-C4' energy: -71.193
flat angles P-C4'-P energy: -34.786
tors. eta vs tors. theta energy: -71.511
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: 10
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -748.633998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.633998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.633998 (E_RNA)
where:
Base-Base interactions energy: -476.883
where: short stacking energy: -209.173
Base-Backbone interact. energy: -1.712
local terms energy: -270.038722
where:
bonds (distance) C4'-P energy: -60.428
bonds (distance) P-C4' energy: -61.725
flat angles C4'-P-C4' energy: -56.955
flat angles P-C4'-P energy: -47.369
tors. eta vs tors. theta energy: -43.562
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: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -715.860081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.860081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.860081 (E_RNA)
where:
Base-Base interactions energy: -456.642
where: short stacking energy: -213.839
Base-Backbone interact. energy: -2.581
local terms energy: -256.637492
where:
bonds (distance) C4'-P energy: -49.684
bonds (distance) P-C4' energy: -62.904
flat angles C4'-P-C4' energy: -57.810
flat angles P-C4'-P energy: -39.928
tors. eta vs tors. theta energy: -46.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -557.435395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.435395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.435395 (E_RNA)
where:
Base-Base interactions energy: -307.583
where: short stacking energy: -158.924
Base-Backbone interact. energy: 0.387
local terms energy: -250.239615
where:
bonds (distance) C4'-P energy: -60.957
bonds (distance) P-C4' energy: -62.941
flat angles C4'-P-C4' energy: -60.879
flat angles P-C4'-P energy: -35.556
tors. eta vs tors. theta energy: -29.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -368.441642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.441642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.441642 (E_RNA)
where:
Base-Base interactions energy: -170.144
where: short stacking energy: -102.627
Base-Backbone interact. energy: 0.204
local terms energy: -198.609479
where:
bonds (distance) C4'-P energy: -62.428
bonds (distance) P-C4' energy: -51.302
flat angles C4'-P-C4' energy: -55.724
flat angles P-C4'-P energy: -28.958
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.108 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -300.598370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.598370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.598370 (E_RNA)
where:
Base-Base interactions energy: -119.949
where: short stacking energy: -92.539
Base-Backbone interact. energy: -0.588
local terms energy: -180.060576
where:
bonds (distance) C4'-P energy: -52.663
bonds (distance) P-C4' energy: -53.060
flat angles C4'-P-C4' energy: -47.121
flat angles P-C4'-P energy: -28.082
tors. eta vs tors. theta energy: 0.866
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: 10, replica: 9
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -312.754259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.754259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.754259 (E_RNA)
where:
Base-Base interactions energy: -116.128
where: short stacking energy: -63.992
Base-Backbone interact. energy: -1.230
local terms energy: -195.396492
where:
bonds (distance) C4'-P energy: -59.389
bonds (distance) P-C4' energy: -55.151
flat angles C4'-P-C4' energy: -50.434
flat angles P-C4'-P energy: -37.040
tors. eta vs tors. theta energy: 6.618
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: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1050.181933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.181933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.181933 (E_RNA)
where:
Base-Base interactions energy: -717.319
where: short stacking energy: -312.550
Base-Backbone interact. energy: -1.369
local terms energy: -331.494361
where:
bonds (distance) C4'-P energy: -60.291
bonds (distance) P-C4' energy: -66.179
flat angles C4'-P-C4' energy: -73.448
flat angles P-C4'-P energy: -47.263
tors. eta vs tors. theta energy: -84.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1006.731295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.731295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.731295 (E_RNA)
where:
Base-Base interactions energy: -682.991
where: short stacking energy: -286.730
Base-Backbone interact. energy: -1.511
local terms energy: -322.228981
where:
bonds (distance) C4'-P energy: -57.539
bonds (distance) P-C4' energy: -69.620
flat angles C4'-P-C4' energy: -68.852
flat angles P-C4'-P energy: -48.340
tors. eta vs tors. theta energy: -77.877
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: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -898.951439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.951439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.951439 (E_RNA)
where:
Base-Base interactions energy: -599.059
where: short stacking energy: -246.097
Base-Backbone interact. energy: -2.036
local terms energy: -297.856682
where:
bonds (distance) C4'-P energy: -58.773
bonds (distance) P-C4' energy: -55.736
flat angles C4'-P-C4' energy: -71.131
flat angles P-C4'-P energy: -52.208
tors. eta vs tors. theta energy: -60.009
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: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -842.470228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.470228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.470228 (E_RNA)
where:
Base-Base interactions energy: -553.741
where: short stacking energy: -238.272
Base-Backbone interact. energy: -1.624
local terms energy: -287.105011
where:
bonds (distance) C4'-P energy: -59.476
bonds (distance) P-C4' energy: -60.587
flat angles C4'-P-C4' energy: -63.524
flat angles P-C4'-P energy: -42.964
tors. eta vs tors. theta energy: -60.554
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: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -762.220732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.220732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.220732 (E_RNA)
where:
Base-Base interactions energy: -492.280
where: short stacking energy: -231.083
Base-Backbone interact. energy: -1.561
local terms energy: -268.379725
where:
bonds (distance) C4'-P energy: -55.464
bonds (distance) P-C4' energy: -70.377
flat angles C4'-P-C4' energy: -45.781
flat angles P-C4'-P energy: -41.509
tors. eta vs tors. theta energy: -55.249
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: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -757.090293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.090293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.090293 (E_RNA)
where:
Base-Base interactions energy: -500.893
where: short stacking energy: -210.055
Base-Backbone interact. energy: -1.663
local terms energy: -256.022816
where:
bonds (distance) C4'-P energy: -55.001
bonds (distance) P-C4' energy: -57.385
flat angles C4'-P-C4' energy: -62.604
flat angles P-C4'-P energy: -31.510
tors. eta vs tors. theta energy: -49.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.488 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -559.100786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.100786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.100786 (E_RNA)
where:
Base-Base interactions energy: -311.869
where: short stacking energy: -156.628
Base-Backbone interact. energy: -0.541
local terms energy: -246.691614
where:
bonds (distance) C4'-P energy: -62.435
bonds (distance) P-C4' energy: -64.683
flat angles C4'-P-C4' energy: -55.580
flat angles P-C4'-P energy: -30.325
tors. eta vs tors. theta energy: -33.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -392.063683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.063683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.063683 (E_RNA)
where:
Base-Base interactions energy: -175.215
where: short stacking energy: -105.443
Base-Backbone interact. energy: -0.792
local terms energy: -216.057111
where:
bonds (distance) C4'-P energy: -58.331
bonds (distance) P-C4' energy: -63.883
flat angles C4'-P-C4' energy: -52.164
flat angles P-C4'-P energy: -33.208
tors. eta vs tors. theta energy: -8.471
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: 9, replica: 5
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -292.799900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.799900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.799900 (E_RNA)
where:
Base-Base interactions energy: -113.915
where: short stacking energy: -84.835
Base-Backbone interact. energy: 5.007
local terms energy: -183.891755
where:
bonds (distance) C4'-P energy: -50.705
bonds (distance) P-C4' energy: -59.650
flat angles C4'-P-C4' energy: -49.737
flat angles P-C4'-P energy: -30.189
tors. eta vs tors. theta energy: 6.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -328.760140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.760140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.760140 (E_RNA)
where:
Base-Base interactions energy: -141.747
where: short stacking energy: -97.297
Base-Backbone interact. energy: -0.198
local terms energy: -186.815262
where:
bonds (distance) C4'-P energy: -48.956
bonds (distance) P-C4' energy: -52.360
flat angles C4'-P-C4' energy: -55.619
flat angles P-C4'-P energy: -28.609
tors. eta vs tors. theta energy: -1.271
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: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1032.246759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.246759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.246759 (E_RNA)
where:
Base-Base interactions energy: -715.165
where: short stacking energy: -288.426
Base-Backbone interact. energy: -2.358
local terms energy: -314.723649
where:
bonds (distance) C4'-P energy: -63.637
bonds (distance) P-C4' energy: -64.219
flat angles C4'-P-C4' energy: -69.260
flat angles P-C4'-P energy: -43.749
tors. eta vs tors. theta energy: -73.859
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: 8
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1018.190917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.190917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.190917 (E_RNA)
where:
Base-Base interactions energy: -681.703
where: short stacking energy: -305.634
Base-Backbone interact. energy: -4.806
local terms energy: -331.681986
where:
bonds (distance) C4'-P energy: -60.472
bonds (distance) P-C4' energy: -72.305
flat angles C4'-P-C4' energy: -68.520
flat angles P-C4'-P energy: -47.851
tors. eta vs tors. theta energy: -82.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -903.140536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.140536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.140536 (E_RNA)
where:
Base-Base interactions energy: -599.633
where: short stacking energy: -234.690
Base-Backbone interact. energy: 1.303
local terms energy: -304.810528
where:
bonds (distance) C4'-P energy: -63.388
bonds (distance) P-C4' energy: -64.344
flat angles C4'-P-C4' energy: -71.608
flat angles P-C4'-P energy: -42.088
tors. eta vs tors. theta energy: -63.382
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: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -825.002940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.002940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.002940 (E_RNA)
where:
Base-Base interactions energy: -526.783
where: short stacking energy: -250.424
Base-Backbone interact. energy: -0.105
local terms energy: -298.114773
where:
bonds (distance) C4'-P energy: -63.201
bonds (distance) P-C4' energy: -54.639
flat angles C4'-P-C4' energy: -66.809
flat angles P-C4'-P energy: -47.608
tors. eta vs tors. theta energy: -65.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -772.113490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.113490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.113490 (E_RNA)
where:
Base-Base interactions energy: -483.224
where: short stacking energy: -222.509
Base-Backbone interact. energy: -0.986
local terms energy: -287.903292
where:
bonds (distance) C4'-P energy: -58.541
bonds (distance) P-C4' energy: -71.328
flat angles C4'-P-C4' energy: -66.835
flat angles P-C4'-P energy: -40.474
tors. eta vs tors. theta energy: -50.724
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: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -765.090293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.090293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.090293 (E_RNA)
where:
Base-Base interactions energy: -508.823
where: short stacking energy: -211.183
Base-Backbone interact. energy: -1.126
local terms energy: -255.141528
where:
bonds (distance) C4'-P energy: -48.886
bonds (distance) P-C4' energy: -58.949
flat angles C4'-P-C4' energy: -53.009
flat angles P-C4'-P energy: -34.809
tors. eta vs tors. theta energy: -59.489
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: 7, replica: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -533.632494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.632494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.632494 (E_RNA)
where:
Base-Base interactions energy: -303.026
where: short stacking energy: -165.126
Base-Backbone interact. energy: -1.089
local terms energy: -229.516820
where:
bonds (distance) C4'-P energy: -49.575
bonds (distance) P-C4' energy: -56.808
flat angles C4'-P-C4' energy: -61.177
flat angles P-C4'-P energy: -32.051
tors. eta vs tors. theta energy: -29.906
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: 6
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -390.714838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.714838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.714838 (E_RNA)
where:
Base-Base interactions energy: -197.958
where: short stacking energy: -119.865
Base-Backbone interact. energy: 1.988
local terms energy: -194.745298
where:
bonds (distance) C4'-P energy: -53.124
bonds (distance) P-C4' energy: -55.409
flat angles C4'-P-C4' energy: -54.176
flat angles P-C4'-P energy: -32.244
tors. eta vs tors. theta energy: 0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -396.124199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.124199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.124199 (E_RNA)
where:
Base-Base interactions energy: -187.318
where: short stacking energy: -115.074
Base-Backbone interact. energy: -0.304
local terms energy: -208.502104
where:
bonds (distance) C4'-P energy: -51.545
bonds (distance) P-C4' energy: -56.558
flat angles C4'-P-C4' energy: -48.141
flat angles P-C4'-P energy: -39.494
tors. eta vs tors. theta energy: -12.764
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: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -267.867197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.867197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.867197 (E_RNA)
where:
Base-Base interactions energy: -93.388
where: short stacking energy: -78.397
Base-Backbone interact. energy: -1.250
local terms energy: -173.228850
where:
bonds (distance) C4'-P energy: -43.325
bonds (distance) P-C4' energy: -59.231
flat angles C4'-P-C4' energy: -37.444
flat angles P-C4'-P energy: -33.888
tors. eta vs tors. theta energy: 0.659
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: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1033.919807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.919807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.919807 (E_RNA)
where:
Base-Base interactions energy: -700.380
where: short stacking energy: -286.732
Base-Backbone interact. energy: 3.140
local terms energy: -336.680022
where:
bonds (distance) C4'-P energy: -64.099
bonds (distance) P-C4' energy: -66.220
flat angles C4'-P-C4' energy: -73.337
flat angles P-C4'-P energy: -56.068
tors. eta vs tors. theta energy: -76.956
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: 2, replica: 8
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1018.617110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.617110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.617110 (E_RNA)
where:
Base-Base interactions energy: -701.065
where: short stacking energy: -310.715
Base-Backbone interact. energy: -1.680
local terms energy: -315.872004
where:
bonds (distance) C4'-P energy: -58.154
bonds (distance) P-C4' energy: -59.311
flat angles C4'-P-C4' energy: -73.458
flat angles P-C4'-P energy: -40.502
tors. eta vs tors. theta energy: -84.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -892.933719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.933719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.933719 (E_RNA)
where:
Base-Base interactions energy: -609.708
where: short stacking energy: -267.906
Base-Backbone interact. energy: -0.005
local terms energy: -283.219997
where:
bonds (distance) C4'-P energy: -60.869
bonds (distance) P-C4' energy: -64.657
flat angles C4'-P-C4' energy: -59.779
flat angles P-C4'-P energy: -35.566
tors. eta vs tors. theta energy: -62.348
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: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -889.294159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.294159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.294159 (E_RNA)
where:
Base-Base interactions energy: -573.956
where: short stacking energy: -272.213
Base-Backbone interact. energy: -0.371
local terms energy: -314.967495
where:
bonds (distance) C4'-P energy: -64.556
bonds (distance) P-C4' energy: -58.336
flat angles C4'-P-C4' energy: -67.332
flat angles P-C4'-P energy: -44.785
tors. eta vs tors. theta energy: -79.958
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: 10
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -751.471276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.471276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.471276 (E_RNA)
where:
Base-Base interactions energy: -502.428
where: short stacking energy: -221.589
Base-Backbone interact. energy: -0.536
local terms energy: -248.507196
where:
bonds (distance) C4'-P energy: -59.563
bonds (distance) P-C4' energy: -53.286
flat angles C4'-P-C4' energy: -61.326
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -57.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -770.297164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.297164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.297164 (E_RNA)
where:
Base-Base interactions energy: -507.486
where: short stacking energy: -225.496
Base-Backbone interact. energy: 5.382
local terms energy: -268.193404
where:
bonds (distance) C4'-P energy: -54.999
bonds (distance) P-C4' energy: -55.842
flat angles C4'-P-C4' energy: -62.089
flat angles P-C4'-P energy: -41.659
tors. eta vs tors. theta energy: -53.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -516.333305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.333305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.333305 (E_RNA)
where:
Base-Base interactions energy: -283.683
where: short stacking energy: -152.608
Base-Backbone interact. energy: -0.767
local terms energy: -231.882997
where:
bonds (distance) C4'-P energy: -47.412
bonds (distance) P-C4' energy: -59.131
flat angles C4'-P-C4' energy: -56.392
flat angles P-C4'-P energy: -33.970
tors. eta vs tors. theta energy: -34.978
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: 9
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -434.225310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.225310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.225310 (E_RNA)
where:
Base-Base interactions energy: -223.283
where: short stacking energy: -126.114
Base-Backbone interact. energy: -0.102
local terms energy: -210.840324
where:
bonds (distance) C4'-P energy: -51.855
bonds (distance) P-C4' energy: -57.622
flat angles C4'-P-C4' energy: -46.176
flat angles P-C4'-P energy: -24.099
tors. eta vs tors. theta energy: -31.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -333.083744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.083744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.083744 (E_RNA)
where:
Base-Base interactions energy: -153.698
where: short stacking energy: -100.509
Base-Backbone interact. energy: -2.718
local terms energy: -176.668552
where:
bonds (distance) C4'-P energy: -46.048
bonds (distance) P-C4' energy: -56.119
flat angles C4'-P-C4' energy: -54.624
flat angles P-C4'-P energy: -32.102
tors. eta vs tors. theta energy: 12.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -262.093792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.093792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.093792 (E_RNA)
where:
Base-Base interactions energy: -92.736
where: short stacking energy: -73.232
Base-Backbone interact. energy: -3.293
local terms energy: -166.269896
where:
bonds (distance) C4'-P energy: -53.010
bonds (distance) P-C4' energy: -49.036
flat angles C4'-P-C4' energy: -55.577
flat angles P-C4'-P energy: -25.571
tors. eta vs tors. theta energy: 16.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.206 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1035.597873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.597873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.597873 (E_RNA)
where:
Base-Base interactions energy: -707.920
where: short stacking energy: -284.343
Base-Backbone interact. energy: -0.815
local terms energy: -326.862674
where:
bonds (distance) C4'-P energy: -55.221
bonds (distance) P-C4' energy: -65.290
flat angles C4'-P-C4' energy: -77.395
flat angles P-C4'-P energy: -51.682
tors. eta vs tors. theta energy: -77.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1018.790021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.790021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.790021 (E_RNA)
where:
Base-Base interactions energy: -694.945
where: short stacking energy: -296.835
Base-Backbone interact. energy: -3.745
local terms energy: -320.100251
where:
bonds (distance) C4'-P energy: -62.029
bonds (distance) P-C4' energy: -61.173
flat angles C4'-P-C4' energy: -69.190
flat angles P-C4'-P energy: -43.267
tors. eta vs tors. theta energy: -84.440
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: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -939.125943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.125943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.125943 (E_RNA)
where:
Base-Base interactions energy: -645.125
where: short stacking energy: -277.014
Base-Backbone interact. energy: -2.197
local terms energy: -291.804251
where:
bonds (distance) C4'-P energy: -60.594
bonds (distance) P-C4' energy: -62.895
flat angles C4'-P-C4' energy: -63.480
flat angles P-C4'-P energy: -32.180
tors. eta vs tors. theta energy: -72.655
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: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -852.956993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.956993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.956993 (E_RNA)
where:
Base-Base interactions energy: -564.192
where: short stacking energy: -239.995
Base-Backbone interact. energy: -2.390
local terms energy: -286.374953
where:
bonds (distance) C4'-P energy: -57.435
bonds (distance) P-C4' energy: -61.527
flat angles C4'-P-C4' energy: -61.167
flat angles P-C4'-P energy: -47.199
tors. eta vs tors. theta energy: -59.047
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: 5, replica: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -764.132265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.132265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.132265 (E_RNA)
where:
Base-Base interactions energy: -504.486
where: short stacking energy: -227.362
Base-Backbone interact. energy: -1.636
local terms energy: -258.010388
where:
bonds (distance) C4'-P energy: -52.573
bonds (distance) P-C4' energy: -53.765
flat angles C4'-P-C4' energy: -65.028
flat angles P-C4'-P energy: -42.682
tors. eta vs tors. theta energy: -43.963
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: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -706.724925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.724925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.724925 (E_RNA)
where:
Base-Base interactions energy: -444.606
where: short stacking energy: -191.966
Base-Backbone interact. energy: -1.847
local terms energy: -260.271787
where:
bonds (distance) C4'-P energy: -58.921
bonds (distance) P-C4' energy: -56.934
flat angles C4'-P-C4' energy: -57.756
flat angles P-C4'-P energy: -44.268
tors. eta vs tors. theta energy: -42.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -539.719650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.719650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.719650 (E_RNA)
where:
Base-Base interactions energy: -311.915
where: short stacking energy: -186.693
Base-Backbone interact. energy: 3.320
local terms energy: -231.124080
where:
bonds (distance) C4'-P energy: -49.489
bonds (distance) P-C4' energy: -51.372
flat angles C4'-P-C4' energy: -53.845
flat angles P-C4'-P energy: -37.501
tors. eta vs tors. theta energy: -38.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -390.927215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.927215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.927215 (E_RNA)
where:
Base-Base interactions energy: -158.565
where: short stacking energy: -106.617
Base-Backbone interact. energy: 1.837
local terms energy: -234.199285
where:
bonds (distance) C4'-P energy: -59.861
bonds (distance) P-C4' energy: -67.375
flat angles C4'-P-C4' energy: -48.638
flat angles P-C4'-P energy: -43.007
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -335.672772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.672772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.672772 (E_RNA)
where:
Base-Base interactions energy: -143.513
where: short stacking energy: -96.081
Base-Backbone interact. energy: 0.004
local terms energy: -192.163514
where:
bonds (distance) C4'-P energy: -49.499
bonds (distance) P-C4' energy: -62.833
flat angles C4'-P-C4' energy: -48.887
flat angles P-C4'-P energy: -26.893
tors. eta vs tors. theta energy: -4.052
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: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -270.332969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.332969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.332969 (E_RNA)
where:
Base-Base interactions energy: -101.642
where: short stacking energy: -60.148
Base-Backbone interact. energy: 8.460
local terms energy: -177.150797
where:
bonds (distance) C4'-P energy: -50.347
bonds (distance) P-C4' energy: -58.905
flat angles C4'-P-C4' energy: -49.014
flat angles P-C4'-P energy: -32.383
tors. eta vs tors. theta energy: 13.499
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: 1, replica: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1045.007762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.007762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.007762 (E_RNA)
where:
Base-Base interactions energy: -711.150
where: short stacking energy: -280.629
Base-Backbone interact. energy: 0.760
local terms energy: -334.617398
where:
bonds (distance) C4'-P energy: -65.294
bonds (distance) P-C4' energy: -70.654
flat angles C4'-P-C4' energy: -61.530
flat angles P-C4'-P energy: -51.265
tors. eta vs tors. theta energy: -85.875
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: 8
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1020.078123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.078123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.078123 (E_RNA)
where:
Base-Base interactions energy: -710.655
where: short stacking energy: -306.406
Base-Backbone interact. energy: 0.086
local terms energy: -309.509127
where:
bonds (distance) C4'-P energy: -67.138
bonds (distance) P-C4' energy: -49.863
flat angles C4'-P-C4' energy: -64.726
flat angles P-C4'-P energy: -44.247
tors. eta vs tors. theta energy: -83.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -954.285484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.285484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.285484 (E_RNA)
where:
Base-Base interactions energy: -647.211
where: short stacking energy: -265.370
Base-Backbone interact. energy: 1.226
local terms energy: -308.301215
where:
bonds (distance) C4'-P energy: -68.404
bonds (distance) P-C4' energy: -57.669
flat angles C4'-P-C4' energy: -67.051
flat angles P-C4'-P energy: -35.404
tors. eta vs tors. theta energy: -79.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -798.913657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.913657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.913657 (E_RNA)
where:
Base-Base interactions energy: -515.214
where: short stacking energy: -241.806
Base-Backbone interact. energy: 0.318
local terms energy: -284.017592
where:
bonds (distance) C4'-P energy: -61.372
bonds (distance) P-C4' energy: -59.997
flat angles C4'-P-C4' energy: -59.948
flat angles P-C4'-P energy: -44.044
tors. eta vs tors. theta energy: -58.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -781.723937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.723937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.723937 (E_RNA)
where:
Base-Base interactions energy: -517.928
where: short stacking energy: -234.114
Base-Backbone interact. energy: -1.177
local terms energy: -262.619091
where:
bonds (distance) C4'-P energy: -44.248
bonds (distance) P-C4' energy: -63.480
flat angles C4'-P-C4' energy: -64.887
flat angles P-C4'-P energy: -34.385
tors. eta vs tors. theta energy: -55.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -693.734520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.734520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.734520 (E_RNA)
where:
Base-Base interactions energy: -440.618
where: short stacking energy: -183.094
Base-Backbone interact. energy: -3.863
local terms energy: -249.254210
where:
bonds (distance) C4'-P energy: -61.315
bonds (distance) P-C4' energy: -51.593
flat angles C4'-P-C4' energy: -68.048
flat angles P-C4'-P energy: -31.184
tors. eta vs tors. theta energy: -37.114
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: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -575.642648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.642648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.642648 (E_RNA)
where:
Base-Base interactions energy: -358.368
where: short stacking energy: -175.834
Base-Backbone interact. energy: 0.343
local terms energy: -217.617104
where:
bonds (distance) C4'-P energy: -42.822
bonds (distance) P-C4' energy: -62.802
flat angles C4'-P-C4' energy: -63.987
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -22.105
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: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -367.640791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.640791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.640791 (E_RNA)
where:
Base-Base interactions energy: -165.051
where: short stacking energy: -91.646
Base-Backbone interact. energy: -2.746
local terms energy: -199.843907
where:
bonds (distance) C4'-P energy: -51.917
bonds (distance) P-C4' energy: -54.554
flat angles C4'-P-C4' energy: -59.303
flat angles P-C4'-P energy: -31.436
tors. eta vs tors. theta energy: -2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -357.709632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.709632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.709632 (E_RNA)
where:
Base-Base interactions energy: -153.107
where: short stacking energy: -118.114
Base-Backbone interact. energy: -0.517
local terms energy: -204.084864
where:
bonds (distance) C4'-P energy: -46.595
bonds (distance) P-C4' energy: -60.333
flat angles C4'-P-C4' energy: -49.190
flat angles P-C4'-P energy: -40.861
tors. eta vs tors. theta energy: -7.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -262.967144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.967144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.967144 (E_RNA)
where:
Base-Base interactions energy: -103.699
where: short stacking energy: -94.793
Base-Backbone interact. energy: 2.097
local terms energy: -161.365817
where:
bonds (distance) C4'-P energy: -56.432
bonds (distance) P-C4' energy: -57.512
flat angles C4'-P-C4' energy: -39.789
flat angles P-C4'-P energy: -14.374
tors. eta vs tors. theta energy: 6.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1057.225449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.225449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.225449 (E_RNA)
where:
Base-Base interactions energy: -723.563
where: short stacking energy: -300.186
Base-Backbone interact. energy: -4.128
local terms energy: -329.533925
where:
bonds (distance) C4'-P energy: -48.951
bonds (distance) P-C4' energy: -68.254
flat angles C4'-P-C4' energy: -73.141
flat angles P-C4'-P energy: -53.928
tors. eta vs tors. theta energy: -85.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1015.370780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.370780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.370780 (E_RNA)
where:
Base-Base interactions energy: -686.818
where: short stacking energy: -289.438
Base-Backbone interact. energy: -2.145
local terms energy: -326.408379
where:
bonds (distance) C4'-P energy: -75.261
bonds (distance) P-C4' energy: -64.676
flat angles C4'-P-C4' energy: -63.603
flat angles P-C4'-P energy: -41.799
tors. eta vs tors. theta energy: -81.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -984.139758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.139758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.139758 (E_RNA)
where:
Base-Base interactions energy: -687.332
where: short stacking energy: -302.518
Base-Backbone interact. energy: -1.633
local terms energy: -295.174925
where:
bonds (distance) C4'-P energy: -54.979
bonds (distance) P-C4' energy: -60.408
flat angles C4'-P-C4' energy: -68.944
flat angles P-C4'-P energy: -33.570
tors. eta vs tors. theta energy: -77.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -834.309561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.309561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.309561 (E_RNA)
where:
Base-Base interactions energy: -550.344
where: short stacking energy: -239.537
Base-Backbone interact. energy: -0.807
local terms energy: -283.158418
where:
bonds (distance) C4'-P energy: -57.662
bonds (distance) P-C4' energy: -59.997
flat angles C4'-P-C4' energy: -54.919
flat angles P-C4'-P energy: -44.092
tors. eta vs tors. theta energy: -66.488
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: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -772.263964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.263964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.263964 (E_RNA)
where:
Base-Base interactions energy: -487.073
where: short stacking energy: -224.161
Base-Backbone interact. energy: -2.850
local terms energy: -282.455651
where:
bonds (distance) C4'-P energy: -58.490
bonds (distance) P-C4' energy: -69.520
flat angles C4'-P-C4' energy: -65.665
flat angles P-C4'-P energy: -49.659
tors. eta vs tors. theta energy: -39.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.114 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -683.325203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.325203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.325203 (E_RNA)
where:
Base-Base interactions energy: -433.482
where: short stacking energy: -208.684
Base-Backbone interact. energy: -2.139
local terms energy: -247.703775
where:
bonds (distance) C4'-P energy: -50.176
bonds (distance) P-C4' energy: -46.489
flat angles C4'-P-C4' energy: -65.155
flat angles P-C4'-P energy: -36.932
tors. eta vs tors. theta energy: -48.952
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: 104
Temperature: 1.200000
Total energy: -573.491860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.491860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.491860 (E_RNA)
where:
Base-Base interactions energy: -339.819
where: short stacking energy: -179.721
Base-Backbone interact. energy: 0.547
local terms energy: -234.219262
where:
bonds (distance) C4'-P energy: -54.828
bonds (distance) P-C4' energy: -56.271
flat angles C4'-P-C4' energy: -53.733
flat angles P-C4'-P energy: -29.777
tors. eta vs tors. theta energy: -39.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -419.169549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.169549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.169549 (E_RNA)
where:
Base-Base interactions energy: -216.936
where: short stacking energy: -131.858
Base-Backbone interact. energy: 0.940
local terms energy: -203.173750
where:
bonds (distance) C4'-P energy: -61.728
bonds (distance) P-C4' energy: -53.310
flat angles C4'-P-C4' energy: -42.984
flat angles P-C4'-P energy: -30.451
tors. eta vs tors. theta energy: -14.701
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: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -357.512801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.512801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.512801 (E_RNA)
where:
Base-Base interactions energy: -161.441
where: short stacking energy: -94.496
Base-Backbone interact. energy: 3.116
local terms energy: -199.188402
where:
bonds (distance) C4'-P energy: -57.176
bonds (distance) P-C4' energy: -47.020
flat angles C4'-P-C4' energy: -51.323
flat angles P-C4'-P energy: -38.643
tors. eta vs tors. theta energy: -5.026
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: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -278.751562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.751562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.751562 (E_RNA)
where:
Base-Base interactions energy: -107.821
where: short stacking energy: -103.207
Base-Backbone interact. energy: 0.932
local terms energy: -171.862928
where:
bonds (distance) C4'-P energy: -61.043
bonds (distance) P-C4' energy: -46.014
flat angles C4'-P-C4' energy: -30.720
flat angles P-C4'-P energy: -33.089
tors. eta vs tors. theta energy: -0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1046.985025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.985025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.985025 (E_RNA)
where:
Base-Base interactions energy: -722.720
where: short stacking energy: -296.151
Base-Backbone interact. energy: -6.332
local terms energy: -317.933470
where:
bonds (distance) C4'-P energy: -65.804
bonds (distance) P-C4' energy: -62.432
flat angles C4'-P-C4' energy: -65.193
flat angles P-C4'-P energy: -44.596
tors. eta vs tors. theta energy: -79.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1014.916652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.916652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.916652 (E_RNA)
where:
Base-Base interactions energy: -691.049
where: short stacking energy: -294.914
Base-Backbone interact. energy: -3.857
local terms energy: -320.011178
where:
bonds (distance) C4'-P energy: -64.339
bonds (distance) P-C4' energy: -65.254
flat angles C4'-P-C4' energy: -69.422
flat angles P-C4'-P energy: -45.448
tors. eta vs tors. theta energy: -75.549
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: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -959.078721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.078721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.078721 (E_RNA)
where:
Base-Base interactions energy: -646.441
where: short stacking energy: -269.466
Base-Backbone interact. energy: -1.842
local terms energy: -310.795817
where:
bonds (distance) C4'-P energy: -61.670
bonds (distance) P-C4' energy: -62.987
flat angles C4'-P-C4' energy: -68.573
flat angles P-C4'-P energy: -40.059
tors. eta vs tors. theta energy: -77.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -787.167923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.167923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.167923 (E_RNA)
where:
Base-Base interactions energy: -523.839
where: short stacking energy: -236.025
Base-Backbone interact. energy: -1.973
local terms energy: -261.355475
where:
bonds (distance) C4'-P energy: -59.631
bonds (distance) P-C4' energy: -54.227
flat angles C4'-P-C4' energy: -57.302
flat angles P-C4'-P energy: -38.146
tors. eta vs tors. theta energy: -52.050
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: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -799.663150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.663150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.663150 (E_RNA)
where:
Base-Base interactions energy: -494.907
where: short stacking energy: -238.707
Base-Backbone interact. energy: -1.081
local terms energy: -303.675079
where:
bonds (distance) C4'-P energy: -52.111
bonds (distance) P-C4' energy: -63.929
flat angles C4'-P-C4' energy: -73.838
flat angles P-C4'-P energy: -44.438
tors. eta vs tors. theta energy: -69.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -687.597957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.597957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.597957 (E_RNA)
where:
Base-Base interactions energy: -409.708
where: short stacking energy: -210.190
Base-Backbone interact. energy: 3.377
local terms energy: -281.266945
where:
bonds (distance) C4'-P energy: -66.866
bonds (distance) P-C4' energy: -60.528
flat angles C4'-P-C4' energy: -60.967
flat angles P-C4'-P energy: -37.007
tors. eta vs tors. theta energy: -55.899
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: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -557.950568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.950568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.950568 (E_RNA)
where:
Base-Base interactions energy: -346.644
where: short stacking energy: -159.980
Base-Backbone interact. energy: -0.316
local terms energy: -210.990605
where:
bonds (distance) C4'-P energy: -51.088
bonds (distance) P-C4' energy: -60.730
flat angles C4'-P-C4' energy: -57.524
flat angles P-C4'-P energy: -23.009
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -376.800211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.800211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.800211 (E_RNA)
where:
Base-Base interactions energy: -160.476
where: short stacking energy: -109.962
Base-Backbone interact. energy: -1.125
local terms energy: -215.198731
where:
bonds (distance) C4'-P energy: -58.238
bonds (distance) P-C4' energy: -62.845
flat angles C4'-P-C4' energy: -58.019
flat angles P-C4'-P energy: -31.043
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -338.916435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.916435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.916435 (E_RNA)
where:
Base-Base interactions energy: -136.039
where: short stacking energy: -75.338
Base-Backbone interact. energy: 0.201
local terms energy: -203.078181
where:
bonds (distance) C4'-P energy: -49.580
bonds (distance) P-C4' energy: -64.149
flat angles C4'-P-C4' energy: -59.186
flat angles P-C4'-P energy: -28.933
tors. eta vs tors. theta energy: -1.231
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: 5
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -259.152871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.152871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.152871 (E_RNA)
where:
Base-Base interactions energy: -84.472
where: short stacking energy: -69.103
Base-Backbone interact. energy: 0.372
local terms energy: -175.052948
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -53.642
flat angles C4'-P-C4' energy: -47.461
flat angles P-C4'-P energy: -20.928
tors. eta vs tors. theta energy: -1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1071.583152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.583152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.583152 (E_RNA)
where:
Base-Base interactions energy: -733.355
where: short stacking energy: -298.607
Base-Backbone interact. energy: -1.804
local terms energy: -336.423545
where:
bonds (distance) C4'-P energy: -63.887
bonds (distance) P-C4' energy: -63.973
flat angles C4'-P-C4' energy: -69.665
flat angles P-C4'-P energy: -53.755
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: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1004.251620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.251620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.251620 (E_RNA)
where:
Base-Base interactions energy: -689.311
where: short stacking energy: -287.099
Base-Backbone interact. energy: -4.068
local terms energy: -310.872971
where:
bonds (distance) C4'-P energy: -56.275
bonds (distance) P-C4' energy: -56.268
flat angles C4'-P-C4' energy: -72.038
flat angles P-C4'-P energy: -51.654
tors. eta vs tors. theta energy: -74.639
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: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -948.215021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.215021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.215021 (E_RNA)
where:
Base-Base interactions energy: -632.900
where: short stacking energy: -270.823
Base-Backbone interact. energy: 1.717
local terms energy: -317.031599
where:
bonds (distance) C4'-P energy: -69.109
bonds (distance) P-C4' energy: -50.534
flat angles C4'-P-C4' energy: -72.634
flat angles P-C4'-P energy: -49.066
tors. eta vs tors. theta energy: -75.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -809.477052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.477052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.477052 (E_RNA)
where:
Base-Base interactions energy: -521.611
where: short stacking energy: -227.971
Base-Backbone interact. energy: -0.636
local terms energy: -287.229722
where:
bonds (distance) C4'-P energy: -47.086
bonds (distance) P-C4' energy: -58.158
flat angles C4'-P-C4' energy: -70.590
flat angles P-C4'-P energy: -45.823
tors. eta vs tors. theta energy: -65.573
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: 106
Temperature: 1.100000
Total energy: -819.811090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.811090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.811090 (E_RNA)
where:
Base-Base interactions energy: -542.335
where: short stacking energy: -246.920
Base-Backbone interact. energy: -1.389
local terms energy: -276.086984
where:
bonds (distance) C4'-P energy: -48.684
bonds (distance) P-C4' energy: -55.310
flat angles C4'-P-C4' energy: -62.140
flat angles P-C4'-P energy: -41.100
tors. eta vs tors. theta energy: -68.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -627.316976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.316976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.316976 (E_RNA)
where:
Base-Base interactions energy: -373.838
where: short stacking energy: -182.190
Base-Backbone interact. energy: -2.499
local terms energy: -250.979931
where:
bonds (distance) C4'-P energy: -56.305
bonds (distance) P-C4' energy: -58.499
flat angles C4'-P-C4' energy: -64.463
flat angles P-C4'-P energy: -31.452
tors. eta vs tors. theta energy: -40.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -546.861316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.861316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.861316 (E_RNA)
where:
Base-Base interactions energy: -321.047
where: short stacking energy: -162.020
Base-Backbone interact. energy: -0.983
local terms energy: -224.831016
where:
bonds (distance) C4'-P energy: -61.344
bonds (distance) P-C4' energy: -66.012
flat angles C4'-P-C4' energy: -49.932
flat angles P-C4'-P energy: -23.620
tors. eta vs tors. theta energy: -23.923
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: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -338.377801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.377801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.377801 (E_RNA)
where:
Base-Base interactions energy: -157.127
where: short stacking energy: -110.351
Base-Backbone interact. energy: 3.243
local terms energy: -184.767234
where:
bonds (distance) C4'-P energy: -55.649
bonds (distance) P-C4' energy: -60.413
flat angles C4'-P-C4' energy: -46.741
flat angles P-C4'-P energy: -25.375
tors. eta vs tors. theta energy: 3.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.273 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -352.085482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.085482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.085482 (E_RNA)
where:
Base-Base interactions energy: -173.292
where: short stacking energy: -113.036
Base-Backbone interact. energy: -1.841
local terms energy: -176.952186
where:
bonds (distance) C4'-P energy: -47.733
bonds (distance) P-C4' energy: -58.423
flat angles C4'-P-C4' energy: -48.851
flat angles P-C4'-P energy: -17.197
tors. eta vs tors. theta energy: -4.748
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: 10, replica: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -285.184820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.184820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.184820 (E_RNA)
where:
Base-Base interactions energy: -127.605
where: short stacking energy: -83.236
Base-Backbone interact. energy: -2.712
local terms energy: -154.867515
where:
bonds (distance) C4'-P energy: -49.126
bonds (distance) P-C4' energy: -52.120
flat angles C4'-P-C4' energy: -36.438
flat angles P-C4'-P energy: -28.663
tors. eta vs tors. theta energy: 11.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1057.897736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.897736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.897736 (E_RNA)
where:
Base-Base interactions energy: -739.902
where: short stacking energy: -288.153
Base-Backbone interact. energy: -0.307
local terms energy: -317.688970
where:
bonds (distance) C4'-P energy: -57.739
bonds (distance) P-C4' energy: -60.145
flat angles C4'-P-C4' energy: -76.199
flat angles P-C4'-P energy: -41.558
tors. eta vs tors. theta energy: -82.048
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: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1012.072925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.072925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.072925 (E_RNA)
where:
Base-Base interactions energy: -701.665
where: short stacking energy: -297.264
Base-Backbone interact. energy: -2.233
local terms energy: -308.174942
where:
bonds (distance) C4'-P energy: -57.837
bonds (distance) P-C4' energy: -58.150
flat angles C4'-P-C4' energy: -67.279
flat angles P-C4'-P energy: -44.182
tors. eta vs tors. theta energy: -80.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -966.873565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.873565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.873565 (E_RNA)
where:
Base-Base interactions energy: -643.970
where: short stacking energy: -273.523
Base-Backbone interact. energy: -1.760
local terms energy: -321.143507
where:
bonds (distance) C4'-P energy: -65.681
bonds (distance) P-C4' energy: -61.436
flat angles C4'-P-C4' energy: -64.060
flat angles P-C4'-P energy: -53.427
tors. eta vs tors. theta energy: -76.539
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: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -836.455059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.455059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.455059 (E_RNA)
where:
Base-Base interactions energy: -543.089
where: short stacking energy: -263.119
Base-Backbone interact. energy: -0.641
local terms energy: -292.724622
where:
bonds (distance) C4'-P energy: -56.137
bonds (distance) P-C4' energy: -61.090
flat angles C4'-P-C4' energy: -59.577
flat angles P-C4'-P energy: -43.253
tors. eta vs tors. theta energy: -72.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -790.135386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.135386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.135386 (E_RNA)
where:
Base-Base interactions energy: -521.811
where: short stacking energy: -222.372
Base-Backbone interact. energy: -0.396
local terms energy: -267.928348
where:
bonds (distance) C4'-P energy: -56.943
bonds (distance) P-C4' energy: -61.772
flat angles C4'-P-C4' energy: -56.179
flat angles P-C4'-P energy: -40.067
tors. eta vs tors. theta energy: -52.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -642.400647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.400647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.400647 (E_RNA)
where:
Base-Base interactions energy: -370.314
where: short stacking energy: -188.545
Base-Backbone interact. energy: -0.970
local terms energy: -271.116529
where:
bonds (distance) C4'-P energy: -62.298
bonds (distance) P-C4' energy: -59.842
flat angles C4'-P-C4' energy: -63.642
flat angles P-C4'-P energy: -44.482
tors. eta vs tors. theta energy: -40.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -566.704797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.704797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.704797 (E_RNA)
where:
Base-Base interactions energy: -330.135
where: short stacking energy: -189.347
Base-Backbone interact. energy: -2.674
local terms energy: -233.895627
where:
bonds (distance) C4'-P energy: -42.546
bonds (distance) P-C4' energy: -50.710
flat angles C4'-P-C4' energy: -55.802
flat angles P-C4'-P energy: -39.075
tors. eta vs tors. theta energy: -45.762
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: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -368.880589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.880589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.880589 (E_RNA)
where:
Base-Base interactions energy: -176.555
where: short stacking energy: -97.858
Base-Backbone interact. energy: 0.622
local terms energy: -195.062187
where:
bonds (distance) C4'-P energy: -65.906
bonds (distance) P-C4' energy: -55.695
flat angles C4'-P-C4' energy: -48.353
flat angles P-C4'-P energy: -27.783
tors. eta vs tors. theta energy: 2.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.114 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -371.618238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.618238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.618238 (E_RNA)
where:
Base-Base interactions energy: -169.786
where: short stacking energy: -123.166
Base-Backbone interact. energy: -1.253
local terms energy: -200.578900
where:
bonds (distance) C4'-P energy: -54.919
bonds (distance) P-C4' energy: -57.610
flat angles C4'-P-C4' energy: -51.382
flat angles P-C4'-P energy: -26.225
tors. eta vs tors. theta energy: -10.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -267.531917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.531917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.531917 (E_RNA)
where:
Base-Base interactions energy: -99.408
where: short stacking energy: -88.193
Base-Backbone interact. energy: 0.406
local terms energy: -168.529873
where:
bonds (distance) C4'-P energy: -53.242
bonds (distance) P-C4' energy: -58.268
flat angles C4'-P-C4' energy: -42.208
flat angles P-C4'-P energy: -23.178
tors. eta vs tors. theta energy: 8.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1023.967900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.967900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.967900 (E_RNA)
where:
Base-Base interactions energy: -685.744
where: short stacking energy: -308.864
Base-Backbone interact. energy: -0.889
local terms energy: -337.335035
where:
bonds (distance) C4'-P energy: -64.681
bonds (distance) P-C4' energy: -64.999
flat angles C4'-P-C4' energy: -80.501
flat angles P-C4'-P energy: -51.755
tors. eta vs tors. theta energy: -75.398
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: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1028.550420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.550420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.550420 (E_RNA)
where:
Base-Base interactions energy: -701.751
where: short stacking energy: -287.868
Base-Backbone interact. energy: 0.457
local terms energy: -327.256295
where:
bonds (distance) C4'-P energy: -61.920
bonds (distance) P-C4' energy: -71.807
flat angles C4'-P-C4' energy: -66.486
flat angles P-C4'-P energy: -44.444
tors. eta vs tors. theta energy: -82.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -944.909552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.909552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.909552 (E_RNA)
where:
Base-Base interactions energy: -632.928
where: short stacking energy: -267.987
Base-Backbone interact. energy: -1.651
local terms energy: -310.330135
where:
bonds (distance) C4'-P energy: -65.084
bonds (distance) P-C4' energy: -62.490
flat angles C4'-P-C4' energy: -62.746
flat angles P-C4'-P energy: -44.021
tors. eta vs tors. theta energy: -75.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -898.491692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.491692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.491692 (E_RNA)
where:
Base-Base interactions energy: -594.323
where: short stacking energy: -259.849
Base-Backbone interact. energy: -1.470
local terms energy: -302.697919
where:
bonds (distance) C4'-P energy: -62.032
bonds (distance) P-C4' energy: -53.395
flat angles C4'-P-C4' energy: -70.690
flat angles P-C4'-P energy: -43.484
tors. eta vs tors. theta energy: -73.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -816.195448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.195448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.195448 (E_RNA)
where:
Base-Base interactions energy: -522.484
where: short stacking energy: -246.335
Base-Backbone interact. energy: -1.154
local terms energy: -292.558182
where:
bonds (distance) C4'-P energy: -58.597
bonds (distance) P-C4' energy: -66.077
flat angles C4'-P-C4' energy: -58.225
flat angles P-C4'-P energy: -43.323
tors. eta vs tors. theta energy: -66.336
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: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -665.011003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.011003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.011003 (E_RNA)
where:
Base-Base interactions energy: -391.425
where: short stacking energy: -195.341
Base-Backbone interact. energy: -0.761
local terms energy: -272.825109
where:
bonds (distance) C4'-P energy: -59.250
bonds (distance) P-C4' energy: -64.829
flat angles C4'-P-C4' energy: -55.602
flat angles P-C4'-P energy: -36.899
tors. eta vs tors. theta energy: -56.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -525.428558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.428558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.428558 (E_RNA)
where:
Base-Base interactions energy: -320.704
where: short stacking energy: -157.037
Base-Backbone interact. energy: -0.528
local terms energy: -204.196179
where:
bonds (distance) C4'-P energy: -51.568
bonds (distance) P-C4' energy: -44.365
flat angles C4'-P-C4' energy: -42.615
flat angles P-C4'-P energy: -34.534
tors. eta vs tors. theta energy: -31.115
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: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -369.270419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.270419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.270419 (E_RNA)
where:
Base-Base interactions energy: -159.483
where: short stacking energy: -95.378
Base-Backbone interact. energy: 0.520
local terms energy: -210.307460
where:
bonds (distance) C4'-P energy: -60.640
bonds (distance) P-C4' energy: -66.702
flat angles C4'-P-C4' energy: -55.250
flat angles P-C4'-P energy: -24.012
tors. eta vs tors. theta energy: -3.703
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: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -344.903176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.903176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.903176 (E_RNA)
where:
Base-Base interactions energy: -167.553
where: short stacking energy: -108.221
Base-Backbone interact. energy: 0.735
local terms energy: -178.085109
where:
bonds (distance) C4'-P energy: -51.580
bonds (distance) P-C4' energy: -49.992
flat angles C4'-P-C4' energy: -37.700
flat angles P-C4'-P energy: -37.384
tors. eta vs tors. theta energy: -1.430
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: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -282.111759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.111759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.111759 (E_RNA)
where:
Base-Base interactions energy: -118.638
where: short stacking energy: -69.532
Base-Backbone interact. energy: 1.172
local terms energy: -164.645736
where:
bonds (distance) C4'-P energy: -54.339
bonds (distance) P-C4' energy: -49.061
flat angles C4'-P-C4' energy: -46.012
flat angles P-C4'-P energy: -25.753
tors. eta vs tors. theta energy: 10.519
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: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1036.630384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.630384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.630384 (E_RNA)
where:
Base-Base interactions energy: -706.885
where: short stacking energy: -312.952
Base-Backbone interact. energy: -8.020
local terms energy: -321.725238
where:
bonds (distance) C4'-P energy: -69.095
bonds (distance) P-C4' energy: -66.878
flat angles C4'-P-C4' energy: -71.438
flat angles P-C4'-P energy: -34.453
tors. eta vs tors. theta energy: -79.861
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: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1052.792560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.792560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.792560 (E_RNA)
where:
Base-Base interactions energy: -730.371
where: short stacking energy: -297.560
Base-Backbone interact. energy: -4.469
local terms energy: -317.952699
where:
bonds (distance) C4'-P energy: -54.711
bonds (distance) P-C4' energy: -63.298
flat angles C4'-P-C4' energy: -71.033
flat angles P-C4'-P energy: -44.010
tors. eta vs tors. theta energy: -84.900
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: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -944.201279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.201279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.201279 (E_RNA)
where:
Base-Base interactions energy: -648.652
where: short stacking energy: -274.279
Base-Backbone interact. energy: -0.965
local terms energy: -294.584656
where:
bonds (distance) C4'-P energy: -52.301
bonds (distance) P-C4' energy: -63.993
flat angles C4'-P-C4' energy: -65.293
flat angles P-C4'-P energy: -44.871
tors. eta vs tors. theta energy: -68.127
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: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -869.068491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.068491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.068491 (E_RNA)
where:
Base-Base interactions energy: -583.843
where: short stacking energy: -251.868
Base-Backbone interact. energy: -1.328
local terms energy: -283.897575
where:
bonds (distance) C4'-P energy: -60.372
bonds (distance) P-C4' energy: -54.600
flat angles C4'-P-C4' energy: -55.864
flat angles P-C4'-P energy: -43.638
tors. eta vs tors. theta energy: -69.423
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: 5, replica: 10
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -773.661279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.661279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.661279 (E_RNA)
where:
Base-Base interactions energy: -496.076
where: short stacking energy: -224.849
Base-Backbone interact. energy: -0.641
local terms energy: -276.943985
where:
bonds (distance) C4'-P energy: -53.012
bonds (distance) P-C4' energy: -55.920
flat angles C4'-P-C4' energy: -56.977
flat angles P-C4'-P energy: -50.167
tors. eta vs tors. theta energy: -60.868
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: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -690.464010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.464010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.464010 (E_RNA)
where:
Base-Base interactions energy: -417.918
where: short stacking energy: -198.131
Base-Backbone interact. energy: 0.387
local terms energy: -272.932179
where:
bonds (distance) C4'-P energy: -62.654
bonds (distance) P-C4' energy: -56.543
flat angles C4'-P-C4' energy: -65.182
flat angles P-C4'-P energy: -40.137
tors. eta vs tors. theta energy: -48.415
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: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -580.102475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.102475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.102475 (E_RNA)
where:
Base-Base interactions energy: -354.521
where: short stacking energy: -171.689
Base-Backbone interact. energy: -1.394
local terms energy: -224.187847
where:
bonds (distance) C4'-P energy: -57.454
bonds (distance) P-C4' energy: -56.772
flat angles C4'-P-C4' energy: -65.310
flat angles P-C4'-P energy: -24.482
tors. eta vs tors. theta energy: -20.170
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: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -399.244552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.244552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.244552 (E_RNA)
where:
Base-Base interactions energy: -183.716
where: short stacking energy: -115.835
Base-Backbone interact. energy: 0.551
local terms energy: -216.826253
where:
bonds (distance) C4'-P energy: -67.857
bonds (distance) P-C4' energy: -57.008
flat angles C4'-P-C4' energy: -58.787
flat angles P-C4'-P energy: -23.627
tors. eta vs tors. theta energy: -9.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.746 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -373.017379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.017379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.017379 (E_RNA)
where:
Base-Base interactions energy: -199.991
where: short stacking energy: -98.045
Base-Backbone interact. energy: -0.386
local terms energy: -172.640315
where:
bonds (distance) C4'-P energy: -50.998
bonds (distance) P-C4' energy: -53.750
flat angles C4'-P-C4' energy: -37.246
flat angles P-C4'-P energy: -38.913
tors. eta vs tors. theta energy: 8.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -273.018712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.018712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.018712 (E_RNA)
where:
Base-Base interactions energy: -101.124
where: short stacking energy: -97.130
Base-Backbone interact. energy: -0.065
local terms energy: -171.829796
where:
bonds (distance) C4'-P energy: -42.822
bonds (distance) P-C4' energy: -53.323
flat angles C4'-P-C4' energy: -63.966
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: 4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1063.652797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.652797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.652797 (E_RNA)
where:
Base-Base interactions energy: -741.849
where: short stacking energy: -306.348
Base-Backbone interact. energy: -1.507
local terms energy: -320.296897
where:
bonds (distance) C4'-P energy: -64.892
bonds (distance) P-C4' energy: -61.780
flat angles C4'-P-C4' energy: -68.118
flat angles P-C4'-P energy: -40.346
tors. eta vs tors. theta energy: -85.162
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: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1010.467001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.467001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.467001 (E_RNA)
where:
Base-Base interactions energy: -688.958
where: short stacking energy: -302.198
Base-Backbone interact. energy: -0.212
local terms energy: -321.297360
where:
bonds (distance) C4'-P energy: -58.115
bonds (distance) P-C4' energy: -66.296
flat angles C4'-P-C4' energy: -64.760
flat angles P-C4'-P energy: -43.745
tors. eta vs tors. theta energy: -88.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -951.801408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.801408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.801408 (E_RNA)
where:
Base-Base interactions energy: -642.148
where: short stacking energy: -264.093
Base-Backbone interact. energy: -2.237
local terms energy: -307.415685
where:
bonds (distance) C4'-P energy: -58.152
bonds (distance) P-C4' energy: -67.538
flat angles C4'-P-C4' energy: -73.369
flat angles P-C4'-P energy: -42.499
tors. eta vs tors. theta energy: -65.858
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: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -866.853714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.853714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.853714 (E_RNA)
where:
Base-Base interactions energy: -564.936
where: short stacking energy: -251.398
Base-Backbone interact. energy: -1.036
local terms energy: -300.882275
where:
bonds (distance) C4'-P energy: -59.009
bonds (distance) P-C4' energy: -60.252
flat angles C4'-P-C4' energy: -56.487
flat angles P-C4'-P energy: -45.983
tors. eta vs tors. theta energy: -79.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -784.653078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.653078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.653078 (E_RNA)
where:
Base-Base interactions energy: -519.660
where: short stacking energy: -230.513
Base-Backbone interact. energy: 1.422
local terms energy: -266.414416
where:
bonds (distance) C4'-P energy: -57.310
bonds (distance) P-C4' energy: -58.703
flat angles C4'-P-C4' energy: -60.994
flat angles P-C4'-P energy: -38.009
tors. eta vs tors. theta energy: -51.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -661.427272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.427272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.427272 (E_RNA)
where:
Base-Base interactions energy: -395.669
where: short stacking energy: -191.253
Base-Backbone interact. energy: -0.403
local terms energy: -268.967149
where:
bonds (distance) C4'-P energy: -60.975
bonds (distance) P-C4' energy: -58.185
flat angles C4'-P-C4' energy: -65.789
flat angles P-C4'-P energy: -31.590
tors. eta vs tors. theta energy: -52.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.612 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -590.417457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.417457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.417457 (E_RNA)
where:
Base-Base interactions energy: -356.480
where: short stacking energy: -175.368
Base-Backbone interact. energy: -1.766
local terms energy: -232.171688
where:
bonds (distance) C4'-P energy: -62.683
bonds (distance) P-C4' energy: -54.302
flat angles C4'-P-C4' energy: -60.023
flat angles P-C4'-P energy: -22.052
tors. eta vs tors. theta energy: -33.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -403.205858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.205858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.205858 (E_RNA)
where:
Base-Base interactions energy: -211.867
where: short stacking energy: -101.101
Base-Backbone interact. energy: 1.747
local terms energy: -193.085267
where:
bonds (distance) C4'-P energy: -47.580
bonds (distance) P-C4' energy: -55.091
flat angles C4'-P-C4' energy: -46.820
flat angles P-C4'-P energy: -23.826
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -357.247359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.247359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.247359 (E_RNA)
where:
Base-Base interactions energy: -153.350
where: short stacking energy: -108.416
Base-Backbone interact. energy: -0.958
local terms energy: -202.938889
where:
bonds (distance) C4'-P energy: -44.038
bonds (distance) P-C4' energy: -57.006
flat angles C4'-P-C4' energy: -59.077
flat angles P-C4'-P energy: -33.805
tors. eta vs tors. theta energy: -9.013
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: 5
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -259.578797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.578797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.578797 (E_RNA)
where:
Base-Base interactions energy: -95.026
where: short stacking energy: -59.475
Base-Backbone interact. energy: -1.064
local terms energy: -163.489250
where:
bonds (distance) C4'-P energy: -43.499
bonds (distance) P-C4' energy: -68.619
flat angles C4'-P-C4' energy: -47.274
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: 19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1068.425153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.425153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.425153 (E_RNA)
where:
Base-Base interactions energy: -743.707
where: short stacking energy: -306.506
Base-Backbone interact. energy: -1.504
local terms energy: -323.214298
where:
bonds (distance) C4'-P energy: -61.695
bonds (distance) P-C4' energy: -74.733
flat angles C4'-P-C4' energy: -63.185
flat angles P-C4'-P energy: -43.539
tors. eta vs tors. theta energy: -80.062
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: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1016.681872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.681872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.681872 (E_RNA)
where:
Base-Base interactions energy: -703.883
where: short stacking energy: -300.492
Base-Backbone interact. energy: -0.961
local terms energy: -311.837306
where:
bonds (distance) C4'-P energy: -57.332
bonds (distance) P-C4' energy: -54.731
flat angles C4'-P-C4' energy: -72.680
flat angles P-C4'-P energy: -44.323
tors. eta vs tors. theta energy: -82.771
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: 111
Temperature: 1.000000
Total energy: -968.806307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.806307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.806307 (E_RNA)
where:
Base-Base interactions energy: -658.531
where: short stacking energy: -279.941
Base-Backbone interact. energy: -0.298
local terms energy: -309.976851
where:
bonds (distance) C4'-P energy: -66.864
bonds (distance) P-C4' energy: -56.772
flat angles C4'-P-C4' energy: -63.743
flat angles P-C4'-P energy: -44.169
tors. eta vs tors. theta energy: -78.428
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: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -889.588878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.588878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.588878 (E_RNA)
where:
Base-Base interactions energy: -588.078
where: short stacking energy: -259.876
Base-Backbone interact. energy: -2.000
local terms energy: -299.510458
where:
bonds (distance) C4'-P energy: -62.196
bonds (distance) P-C4' energy: -61.504
flat angles C4'-P-C4' energy: -65.149
flat angles P-C4'-P energy: -39.815
tors. eta vs tors. theta energy: -70.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -792.462870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.462870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.462870 (E_RNA)
where:
Base-Base interactions energy: -516.697
where: short stacking energy: -245.368
Base-Backbone interact. energy: -1.089
local terms energy: -274.676748
where:
bonds (distance) C4'-P energy: -55.246
bonds (distance) P-C4' energy: -63.184
flat angles C4'-P-C4' energy: -62.782
flat angles P-C4'-P energy: -32.754
tors. eta vs tors. theta energy: -60.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -579.364135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.364135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.364135 (E_RNA)
where:
Base-Base interactions energy: -350.568
where: short stacking energy: -179.539
Base-Backbone interact. energy: -1.135
local terms energy: -227.660753
where:
bonds (distance) C4'-P energy: -53.756
bonds (distance) P-C4' energy: -62.465
flat angles C4'-P-C4' energy: -46.150
flat angles P-C4'-P energy: -38.734
tors. eta vs tors. theta energy: -26.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -594.512952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.512952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.512952 (E_RNA)
where:
Base-Base interactions energy: -357.753
where: short stacking energy: -163.371
Base-Backbone interact. energy: -1.726
local terms energy: -235.034131
where:
bonds (distance) C4'-P energy: -57.744
bonds (distance) P-C4' energy: -58.754
flat angles C4'-P-C4' energy: -60.168
flat angles P-C4'-P energy: -34.400
tors. eta vs tors. theta energy: -23.967
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: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -424.448546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.448546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.448546 (E_RNA)
where:
Base-Base interactions energy: -233.206
where: short stacking energy: -133.028
Base-Backbone interact. energy: 0.409
local terms energy: -191.650760
where:
bonds (distance) C4'-P energy: -50.210
bonds (distance) P-C4' energy: -54.573
flat angles C4'-P-C4' energy: -39.292
flat angles P-C4'-P energy: -36.978
tors. eta vs tors. theta energy: -10.598
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: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -379.880034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.880034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.880034 (E_RNA)
where:
Base-Base interactions energy: -171.228
where: short stacking energy: -115.956
Base-Backbone interact. energy: 1.404
local terms energy: -210.056179
where:
bonds (distance) C4'-P energy: -61.745
bonds (distance) P-C4' energy: -61.696
flat angles C4'-P-C4' energy: -48.859
flat angles P-C4'-P energy: -20.387
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -315.654009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.654009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.654009 (E_RNA)
where:
Base-Base interactions energy: -130.765
where: short stacking energy: -81.013
Base-Backbone interact. energy: 0.788
local terms energy: -185.676865
where:
bonds (distance) C4'-P energy: -61.446
bonds (distance) P-C4' energy: -62.750
flat angles C4'-P-C4' energy: -43.929
flat angles P-C4'-P energy: -21.410
tors. eta vs tors. theta energy: 3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1077.360316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.360316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.360316 (E_RNA)
where:
Base-Base interactions energy: -742.401
where: short stacking energy: -314.918
Base-Backbone interact. energy: -1.466
local terms energy: -333.494201
where:
bonds (distance) C4'-P energy: -63.992
bonds (distance) P-C4' energy: -60.388
flat angles C4'-P-C4' energy: -78.319
flat angles P-C4'-P energy: -37.512
tors. eta vs tors. theta energy: -93.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1033.967411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.967411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.967411 (E_RNA)
where:
Base-Base interactions energy: -714.160
where: short stacking energy: -295.697
Base-Backbone interact. energy: -5.298
local terms energy: -314.509464
where:
bonds (distance) C4'-P energy: -56.758
bonds (distance) P-C4' energy: -62.501
flat angles C4'-P-C4' energy: -71.463
flat angles P-C4'-P energy: -41.437
tors. eta vs tors. theta energy: -82.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -989.427280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.427280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.427280 (E_RNA)
where:
Base-Base interactions energy: -650.136
where: short stacking energy: -287.147
Base-Backbone interact. energy: -2.774
local terms energy: -336.517046
where:
bonds (distance) C4'-P energy: -62.158
bonds (distance) P-C4' energy: -68.984
flat angles C4'-P-C4' energy: -72.888
flat angles P-C4'-P energy: -52.712
tors. eta vs tors. theta energy: -79.776
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: 4
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -887.472938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.472938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.472938 (E_RNA)
where:
Base-Base interactions energy: -590.112
where: short stacking energy: -259.338
Base-Backbone interact. energy: -1.056
local terms energy: -296.305018
where:
bonds (distance) C4'-P energy: -54.605
bonds (distance) P-C4' energy: -64.332
flat angles C4'-P-C4' energy: -64.432
flat angles P-C4'-P energy: -36.113
tors. eta vs tors. theta energy: -76.822
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: 10
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -837.808272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.808272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.808272 (E_RNA)
where:
Base-Base interactions energy: -557.554
where: short stacking energy: -252.173
Base-Backbone interact. energy: -1.089
local terms energy: -279.165090
where:
bonds (distance) C4'-P energy: -50.757
bonds (distance) P-C4' energy: -60.905
flat angles C4'-P-C4' energy: -60.141
flat angles P-C4'-P energy: -39.335
tors. eta vs tors. theta energy: -68.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -591.001225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.001225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.001225 (E_RNA)
where:
Base-Base interactions energy: -358.371
where: short stacking energy: -178.584
Base-Backbone interact. energy: -2.002
local terms energy: -230.628464
where:
bonds (distance) C4'-P energy: -56.227
bonds (distance) P-C4' energy: -52.929
flat angles C4'-P-C4' energy: -55.298
flat angles P-C4'-P energy: -37.932
tors. eta vs tors. theta energy: -28.242
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: 1
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -542.996878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.996878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.996878 (E_RNA)
where:
Base-Base interactions energy: -323.537
where: short stacking energy: -161.661
Base-Backbone interact. energy: 3.847
local terms energy: -223.307479
where:
bonds (distance) C4'-P energy: -50.486
bonds (distance) P-C4' energy: -69.918
flat angles C4'-P-C4' energy: -42.524
flat angles P-C4'-P energy: -29.281
tors. eta vs tors. theta energy: -31.099
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: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -391.025409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.025409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.025409 (E_RNA)
where:
Base-Base interactions energy: -198.657
where: short stacking energy: -115.123
Base-Backbone interact. energy: -1.880
local terms energy: -190.488209
where:
bonds (distance) C4'-P energy: -38.056
bonds (distance) P-C4' energy: -54.380
flat angles C4'-P-C4' energy: -60.572
flat angles P-C4'-P energy: -28.509
tors. eta vs tors. theta energy: -8.971
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: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -339.304875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.304875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.304875 (E_RNA)
where:
Base-Base interactions energy: -132.917
where: short stacking energy: -81.857
Base-Backbone interact. energy: -0.938
local terms energy: -205.449989
where:
bonds (distance) C4'-P energy: -63.784
bonds (distance) P-C4' energy: -64.060
flat angles C4'-P-C4' energy: -53.547
flat angles P-C4'-P energy: -22.946
tors. eta vs tors. theta energy: -1.113
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: 5
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -270.464341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.464341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.464341 (E_RNA)
where:
Base-Base interactions energy: -87.454
where: short stacking energy: -82.028
Base-Backbone interact. energy: 0.166
local terms energy: -183.175908
where:
bonds (distance) C4'-P energy: -56.236
bonds (distance) P-C4' energy: -48.027
flat angles C4'-P-C4' energy: -52.129
flat angles P-C4'-P energy: -24.461
tors. eta vs tors. theta energy: -2.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1071.545129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.545129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.545129 (E_RNA)
where:
Base-Base interactions energy: -729.416
where: short stacking energy: -308.396
Base-Backbone interact. energy: -2.186
local terms energy: -339.943872
where:
bonds (distance) C4'-P energy: -69.229
bonds (distance) P-C4' energy: -67.335
flat angles C4'-P-C4' energy: -73.266
flat angles P-C4'-P energy: -44.733
tors. eta vs tors. theta energy: -85.381
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: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1029.105462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.105462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.105462 (E_RNA)
where:
Base-Base interactions energy: -701.648
where: short stacking energy: -292.546
Base-Backbone interact. energy: -2.329
local terms energy: -325.129056
where:
bonds (distance) C4'-P energy: -67.325
bonds (distance) P-C4' energy: -71.027
flat angles C4'-P-C4' energy: -67.930
flat angles P-C4'-P energy: -44.938
tors. eta vs tors. theta energy: -73.908
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: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -969.127400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.127400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.127400 (E_RNA)
where:
Base-Base interactions energy: -642.835
where: short stacking energy: -272.568
Base-Backbone interact. energy: -1.114
local terms energy: -325.178725
where:
bonds (distance) C4'-P energy: -54.952
bonds (distance) P-C4' energy: -65.743
flat angles C4'-P-C4' energy: -70.119
flat angles P-C4'-P energy: -53.651
tors. eta vs tors. theta energy: -80.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -886.119719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.119719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.119719 (E_RNA)
where:
Base-Base interactions energy: -594.854
where: short stacking energy: -270.943
Base-Backbone interact. energy: -1.994
local terms energy: -289.272014
where:
bonds (distance) C4'-P energy: -49.179
bonds (distance) P-C4' energy: -64.850
flat angles C4'-P-C4' energy: -67.533
flat angles P-C4'-P energy: -36.066
tors. eta vs tors. theta energy: -71.644
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: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -855.381287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.381287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.381287 (E_RNA)
where:
Base-Base interactions energy: -568.425
where: short stacking energy: -254.682
Base-Backbone interact. energy: -2.264
local terms energy: -284.691844
where:
bonds (distance) C4'-P energy: -48.833
bonds (distance) P-C4' energy: -63.596
flat angles C4'-P-C4' energy: -66.492
flat angles P-C4'-P energy: -40.205
tors. eta vs tors. theta energy: -65.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -580.230030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.230030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.230030 (E_RNA)
where:
Base-Base interactions energy: -342.653
where: short stacking energy: -196.928
Base-Backbone interact. energy: -0.453
local terms energy: -237.123705
where:
bonds (distance) C4'-P energy: -45.892
bonds (distance) P-C4' energy: -65.906
flat angles C4'-P-C4' energy: -57.272
flat angles P-C4'-P energy: -34.715
tors. eta vs tors. theta energy: -33.338
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: 7, replica: 1
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -542.839939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.839939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.839939 (E_RNA)
where:
Base-Base interactions energy: -300.179
where: short stacking energy: -136.261
Base-Backbone interact. energy: -0.412
local terms energy: -242.248013
where:
bonds (distance) C4'-P energy: -57.928
bonds (distance) P-C4' energy: -65.904
flat angles C4'-P-C4' energy: -63.052
flat angles P-C4'-P energy: -30.701
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: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -398.879043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.879043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.879043 (E_RNA)
where:
Base-Base interactions energy: -183.934
where: short stacking energy: -115.026
Base-Backbone interact. energy: -0.547
local terms energy: -214.397833
where:
bonds (distance) C4'-P energy: -62.188
bonds (distance) P-C4' energy: -56.800
flat angles C4'-P-C4' energy: -50.121
flat angles P-C4'-P energy: -28.151
tors. eta vs tors. theta energy: -17.138
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: 9, replica: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -346.326610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.326610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.326610 (E_RNA)
where:
Base-Base interactions energy: -153.470
where: short stacking energy: -95.450
Base-Backbone interact. energy: 5.429
local terms energy: -198.285737
where:
bonds (distance) C4'-P energy: -54.535
bonds (distance) P-C4' energy: -52.588
flat angles C4'-P-C4' energy: -57.369
flat angles P-C4'-P energy: -32.269
tors. eta vs tors. theta energy: -1.526
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: 5
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -279.454622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.454622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.454622 (E_RNA)
where:
Base-Base interactions energy: -87.270
where: short stacking energy: -83.763
Base-Backbone interact. energy: 0.296
local terms energy: -192.480557
where:
bonds (distance) C4'-P energy: -47.587
bonds (distance) P-C4' energy: -68.444
flat angles C4'-P-C4' energy: -48.094
flat angles P-C4'-P energy: -37.600
tors. eta vs tors. theta energy: 9.245
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: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1023.340239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.340239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.340239 (E_RNA)
where:
Base-Base interactions energy: -693.430
where: short stacking energy: -292.116
Base-Backbone interact. energy: -1.371
local terms energy: -328.539238
where:
bonds (distance) C4'-P energy: -61.197
bonds (distance) P-C4' energy: -64.408
flat angles C4'-P-C4' energy: -65.994
flat angles P-C4'-P energy: -52.082
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: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1032.749568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.749568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.749568 (E_RNA)
where:
Base-Base interactions energy: -692.036
where: short stacking energy: -320.040
Base-Backbone interact. energy: -2.083
local terms energy: -338.630779
where:
bonds (distance) C4'-P energy: -54.772
bonds (distance) P-C4' energy: -76.553
flat angles C4'-P-C4' energy: -70.352
flat angles P-C4'-P energy: -53.965
tors. eta vs tors. theta energy: -82.989
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: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -943.597167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.597167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.597167 (E_RNA)
where:
Base-Base interactions energy: -634.511
where: short stacking energy: -270.799
Base-Backbone interact. energy: -1.257
local terms energy: -307.829216
where:
bonds (distance) C4'-P energy: -62.283
bonds (distance) P-C4' energy: -59.038
flat angles C4'-P-C4' energy: -70.439
flat angles P-C4'-P energy: -42.024
tors. eta vs tors. theta energy: -74.045
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: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -891.581743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.581743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.581743 (E_RNA)
where:
Base-Base interactions energy: -600.809
where: short stacking energy: -268.722
Base-Backbone interact. energy: -0.233
local terms energy: -290.539512
where:
bonds (distance) C4'-P energy: -58.720
bonds (distance) P-C4' energy: -54.791
flat angles C4'-P-C4' energy: -65.995
flat angles P-C4'-P energy: -40.450
tors. eta vs tors. theta energy: -70.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -862.176444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.176444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.176444 (E_RNA)
where:
Base-Base interactions energy: -572.727
where: short stacking energy: -253.126
Base-Backbone interact. energy: -2.792
local terms energy: -286.658424
where:
bonds (distance) C4'-P energy: -61.258
bonds (distance) P-C4' energy: -54.371
flat angles C4'-P-C4' energy: -68.135
flat angles P-C4'-P energy: -39.200
tors. eta vs tors. theta energy: -63.695
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: 6, replica: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -589.030266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.030266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.030266 (E_RNA)
where:
Base-Base interactions energy: -318.479
where: short stacking energy: -163.459
Base-Backbone interact. energy: -0.397
local terms energy: -270.154034
where:
bonds (distance) C4'-P energy: -59.706
bonds (distance) P-C4' energy: -61.947
flat angles C4'-P-C4' energy: -61.859
flat angles P-C4'-P energy: -45.783
tors. eta vs tors. theta energy: -40.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -420.990660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.990660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.990660 (E_RNA)
where:
Base-Base interactions energy: -199.479
where: short stacking energy: -140.837
Base-Backbone interact. energy: -0.883
local terms energy: -220.628403
where:
bonds (distance) C4'-P energy: -58.731
bonds (distance) P-C4' energy: -58.313
flat angles C4'-P-C4' energy: -51.939
flat angles P-C4'-P energy: -22.749
tors. eta vs tors. theta energy: -28.896
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: 8, replica: 1
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -473.154384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.154384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.154384 (E_RNA)
where:
Base-Base interactions energy: -269.076
where: short stacking energy: -141.696
Base-Backbone interact. energy: -1.205
local terms energy: -202.873793
where:
bonds (distance) C4'-P energy: -47.217
bonds (distance) P-C4' energy: -46.905
flat angles C4'-P-C4' energy: -53.473
flat angles P-C4'-P energy: -30.147
tors. eta vs tors. theta energy: -25.132
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: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -361.040402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.040402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.040402 (E_RNA)
where:
Base-Base interactions energy: -159.574
where: short stacking energy: -121.076
Base-Backbone interact. energy: 1.190
local terms energy: -202.655847
where:
bonds (distance) C4'-P energy: -60.641
bonds (distance) P-C4' energy: -46.255
flat angles C4'-P-C4' energy: -52.495
flat angles P-C4'-P energy: -28.962
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: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -255.297370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.297370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.297370 (E_RNA)
where:
Base-Base interactions energy: -102.161
where: short stacking energy: -78.795
Base-Backbone interact. energy: 1.386
local terms energy: -154.521762
where:
bonds (distance) C4'-P energy: -47.330
bonds (distance) P-C4' energy: -50.879
flat angles C4'-P-C4' energy: -46.797
flat angles P-C4'-P energy: -15.356
tors. eta vs tors. theta energy: 5.839
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: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1038.457278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.457278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.457278 (E_RNA)
where:
Base-Base interactions energy: -710.528
where: short stacking energy: -319.081
Base-Backbone interact. energy: -1.820
local terms energy: -326.109892
where:
bonds (distance) C4'-P energy: -68.584
bonds (distance) P-C4' energy: -63.098
flat angles C4'-P-C4' energy: -69.587
flat angles P-C4'-P energy: -40.243
tors. eta vs tors. theta energy: -84.597
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: 115
Temperature: 0.950000
Total energy: -982.900753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.900753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.900753 (E_RNA)
where:
Base-Base interactions energy: -662.885
where: short stacking energy: -298.342
Base-Backbone interact. energy: -0.267
local terms energy: -319.748574
where:
bonds (distance) C4'-P energy: -54.513
bonds (distance) P-C4' energy: -63.050
flat angles C4'-P-C4' energy: -80.346
flat angles P-C4'-P energy: -47.112
tors. eta vs tors. theta energy: -74.727
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: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -960.665525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.665525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.665525 (E_RNA)
where:
Base-Base interactions energy: -663.112
where: short stacking energy: -283.186
Base-Backbone interact. energy: 0.472
local terms energy: -298.025662
where:
bonds (distance) C4'-P energy: -53.790
bonds (distance) P-C4' energy: -53.553
flat angles C4'-P-C4' energy: -67.355
flat angles P-C4'-P energy: -51.183
tors. eta vs tors. theta energy: -72.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -879.315112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.315112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.315112 (E_RNA)
where:
Base-Base interactions energy: -570.586
where: short stacking energy: -247.691
Base-Backbone interact. energy: -0.359
local terms energy: -308.369972
where:
bonds (distance) C4'-P energy: -53.147
bonds (distance) P-C4' energy: -68.489
flat angles C4'-P-C4' energy: -74.216
flat angles P-C4'-P energy: -48.537
tors. eta vs tors. theta energy: -63.980
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: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -841.781225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.781225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.781225 (E_RNA)
where:
Base-Base interactions energy: -549.550
where: short stacking energy: -258.439
Base-Backbone interact. energy: -1.883
local terms energy: -290.940592
where:
bonds (distance) C4'-P energy: -62.503
bonds (distance) P-C4' energy: -60.503
flat angles C4'-P-C4' energy: -62.357
flat angles P-C4'-P energy: -38.053
tors. eta vs tors. theta energy: -67.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.591 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -614.692907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.692907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.692907 (E_RNA)
where:
Base-Base interactions energy: -367.781
where: short stacking energy: -170.241
Base-Backbone interact. energy: -4.397
local terms energy: -242.515086
where:
bonds (distance) C4'-P energy: -56.850
bonds (distance) P-C4' energy: -65.605
flat angles C4'-P-C4' energy: -49.845
flat angles P-C4'-P energy: -35.492
tors. eta vs tors. theta energy: -34.723
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: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -443.587085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.587085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.587085 (E_RNA)
where:
Base-Base interactions energy: -228.084
where: short stacking energy: -130.594
Base-Backbone interact. energy: 0.584
local terms energy: -216.086499
where:
bonds (distance) C4'-P energy: -67.145
bonds (distance) P-C4' energy: -60.517
flat angles C4'-P-C4' energy: -42.639
flat angles P-C4'-P energy: -36.745
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: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -396.279428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.279428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.279428 (E_RNA)
where:
Base-Base interactions energy: -206.888
where: short stacking energy: -102.253
Base-Backbone interact. energy: 0.336
local terms energy: -189.727542
where:
bonds (distance) C4'-P energy: -61.193
bonds (distance) P-C4' energy: -57.748
flat angles C4'-P-C4' energy: -40.780
flat angles P-C4'-P energy: -23.467
tors. eta vs tors. theta energy: -6.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -433.743602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.743602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.743602 (E_RNA)
where:
Base-Base interactions energy: -224.749
where: short stacking energy: -114.640
Base-Backbone interact. energy: 1.351
local terms energy: -210.345009
where:
bonds (distance) C4'-P energy: -50.611
bonds (distance) P-C4' energy: -58.181
flat angles C4'-P-C4' energy: -49.484
flat angles P-C4'-P energy: -35.685
tors. eta vs tors. theta energy: -16.384
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: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -258.899093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.899093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.899093 (E_RNA)
where:
Base-Base interactions energy: -87.254
where: short stacking energy: -63.431
Base-Backbone interact. energy: -0.947
local terms energy: -170.697735
where:
bonds (distance) C4'-P energy: -50.866
bonds (distance) P-C4' energy: -60.456
flat angles C4'-P-C4' energy: -45.021
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: 11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1030.526349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.526349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.526349 (E_RNA)
where:
Base-Base interactions energy: -694.751
where: short stacking energy: -309.201
Base-Backbone interact. energy: -0.588
local terms energy: -335.187337
where:
bonds (distance) C4'-P energy: -61.148
bonds (distance) P-C4' energy: -71.363
flat angles C4'-P-C4' energy: -72.285
flat angles P-C4'-P energy: -40.792
tors. eta vs tors. theta energy: -89.600
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: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1002.317608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.317608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.317608 (E_RNA)
where:
Base-Base interactions energy: -674.495
where: short stacking energy: -286.166
Base-Backbone interact. energy: -2.913
local terms energy: -324.910126
where:
bonds (distance) C4'-P energy: -58.968
bonds (distance) P-C4' energy: -67.960
flat angles C4'-P-C4' energy: -72.046
flat angles P-C4'-P energy: -51.301
tors. eta vs tors. theta energy: -74.636
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: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -938.711860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.711860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.711860 (E_RNA)
where:
Base-Base interactions energy: -632.573
where: short stacking energy: -267.083
Base-Backbone interact. energy: -1.658
local terms energy: -304.481266
where:
bonds (distance) C4'-P energy: -65.149
bonds (distance) P-C4' energy: -64.936
flat angles C4'-P-C4' energy: -66.050
flat angles P-C4'-P energy: -39.973
tors. eta vs tors. theta energy: -68.374
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: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -879.344814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.344814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.344814 (E_RNA)
where:
Base-Base interactions energy: -592.438
where: short stacking energy: -261.640
Base-Backbone interact. energy: -0.748
local terms energy: -286.159037
where:
bonds (distance) C4'-P energy: -43.344
bonds (distance) P-C4' energy: -53.120
flat angles C4'-P-C4' energy: -72.855
flat angles P-C4'-P energy: -46.381
tors. eta vs tors. theta energy: -70.459
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: 116
Temperature: 1.100000
Total energy: -833.033081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.033081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.033081 (E_RNA)
where:
Base-Base interactions energy: -540.471
where: short stacking energy: -250.486
Base-Backbone interact. energy: -1.788
local terms energy: -290.773515
where:
bonds (distance) C4'-P energy: -53.012
bonds (distance) P-C4' energy: -57.964
flat angles C4'-P-C4' energy: -60.978
flat angles P-C4'-P energy: -45.575
tors. eta vs tors. theta energy: -73.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -650.411739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.411739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.411739 (E_RNA)
where:
Base-Base interactions energy: -385.887
where: short stacking energy: -194.317
Base-Backbone interact. energy: 1.263
local terms energy: -265.787517
where:
bonds (distance) C4'-P energy: -66.049
bonds (distance) P-C4' energy: -62.798
flat angles C4'-P-C4' energy: -59.312
flat angles P-C4'-P energy: -35.245
tors. eta vs tors. theta energy: -42.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -505.376800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.376800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.376800 (E_RNA)
where:
Base-Base interactions energy: -292.391
where: short stacking energy: -148.730
Base-Backbone interact. energy: -1.490
local terms energy: -211.495333
where:
bonds (distance) C4'-P energy: -53.342
bonds (distance) P-C4' energy: -52.674
flat angles C4'-P-C4' energy: -52.920
flat angles P-C4'-P energy: -28.580
tors. eta vs tors. theta energy: -23.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -372.661704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.661704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.661704 (E_RNA)
where:
Base-Base interactions energy: -179.231
where: short stacking energy: -104.551
Base-Backbone interact. energy: -1.410
local terms energy: -192.020568
where:
bonds (distance) C4'-P energy: -54.054
bonds (distance) P-C4' energy: -60.471
flat angles C4'-P-C4' energy: -43.875
flat angles P-C4'-P energy: -37.364
tors. eta vs tors. theta energy: 3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -407.511068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.511068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.511068 (E_RNA)
where:
Base-Base interactions energy: -208.285
where: short stacking energy: -123.286
Base-Backbone interact. energy: -0.247
local terms energy: -198.979302
where:
bonds (distance) C4'-P energy: -51.307
bonds (distance) P-C4' energy: -56.498
flat angles C4'-P-C4' energy: -47.337
flat angles P-C4'-P energy: -41.932
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -271.736543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.736543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.736543 (E_RNA)
where:
Base-Base interactions energy: -91.714
where: short stacking energy: -83.531
Base-Backbone interact. energy: 1.776
local terms energy: -181.797940
where:
bonds (distance) C4'-P energy: -44.972
bonds (distance) P-C4' energy: -60.179
flat angles C4'-P-C4' energy: -54.480
flat angles P-C4'-P energy: -34.729
tors. eta vs tors. theta energy: 12.562
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: 1, replica: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1056.144808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.144808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.144808 (E_RNA)
where:
Base-Base interactions energy: -710.774
where: short stacking energy: -310.121
Base-Backbone interact. energy: -1.014
local terms energy: -344.356851
where:
bonds (distance) C4'-P energy: -69.887
bonds (distance) P-C4' energy: -68.906
flat angles C4'-P-C4' energy: -69.607
flat angles P-C4'-P energy: -52.383
tors. eta vs tors. theta energy: -83.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1004.545666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.545666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.545666 (E_RNA)
where:
Base-Base interactions energy: -676.841
where: short stacking energy: -299.122
Base-Backbone interact. energy: -0.584
local terms energy: -327.120638
where:
bonds (distance) C4'-P energy: -67.720
bonds (distance) P-C4' energy: -64.062
flat angles C4'-P-C4' energy: -65.624
flat angles P-C4'-P energy: -49.887
tors. eta vs tors. theta energy: -79.828
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: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -959.027824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.027824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.027824 (E_RNA)
where:
Base-Base interactions energy: -650.577
where: short stacking energy: -274.769
Base-Backbone interact. energy: -0.029
local terms energy: -308.422231
where:
bonds (distance) C4'-P energy: -64.165
bonds (distance) P-C4' energy: -60.503
flat angles C4'-P-C4' energy: -66.420
flat angles P-C4'-P energy: -37.208
tors. eta vs tors. theta energy: -80.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -925.198634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.198634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.198634 (E_RNA)
where:
Base-Base interactions energy: -605.348
where: short stacking energy: -279.394
Base-Backbone interact. energy: -0.983
local terms energy: -318.866807
where:
bonds (distance) C4'-P energy: -65.740
bonds (distance) P-C4' energy: -65.116
flat angles C4'-P-C4' energy: -66.531
flat angles P-C4'-P energy: -38.232
tors. eta vs tors. theta energy: -83.247
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: 117
Temperature: 1.100000
Total energy: -823.299618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.299618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.299618 (E_RNA)
where:
Base-Base interactions energy: -515.072
where: short stacking energy: -233.377
Base-Backbone interact. energy: 0.311
local terms energy: -308.538191
where:
bonds (distance) C4'-P energy: -65.022
bonds (distance) P-C4' energy: -66.839
flat angles C4'-P-C4' energy: -67.304
flat angles P-C4'-P energy: -48.324
tors. eta vs tors. theta energy: -61.049
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: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -673.372614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.372614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.372614 (E_RNA)
where:
Base-Base interactions energy: -417.942
where: short stacking energy: -187.758
Base-Backbone interact. energy: -0.927
local terms energy: -254.504286
where:
bonds (distance) C4'-P energy: -54.482
bonds (distance) P-C4' energy: -69.219
flat angles C4'-P-C4' energy: -59.282
flat angles P-C4'-P energy: -28.622
tors. eta vs tors. theta energy: -42.899
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: 9
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -540.857629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.857629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.857629 (E_RNA)
where:
Base-Base interactions energy: -315.941
where: short stacking energy: -163.425
Base-Backbone interact. energy: -0.269
local terms energy: -224.647874
where:
bonds (distance) C4'-P energy: -52.453
bonds (distance) P-C4' energy: -61.867
flat angles C4'-P-C4' energy: -50.401
flat angles P-C4'-P energy: -35.157
tors. eta vs tors. theta energy: -24.770
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: 117
Temperature: 1.250000
Total energy: -438.498809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.498809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.498809 (E_RNA)
where:
Base-Base interactions energy: -229.743
where: short stacking energy: -121.812
Base-Backbone interact. energy: 0.930
local terms energy: -209.685894
where:
bonds (distance) C4'-P energy: -53.788
bonds (distance) P-C4' energy: -60.871
flat angles C4'-P-C4' energy: -60.467
flat angles P-C4'-P energy: -32.244
tors. eta vs tors. theta energy: -2.315
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: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -342.268255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.268255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.268255 (E_RNA)
where:
Base-Base interactions energy: -154.644
where: short stacking energy: -102.918
Base-Backbone interact. energy: -1.735
local terms energy: -185.889440
where:
bonds (distance) C4'-P energy: -47.165
bonds (distance) P-C4' energy: -59.774
flat angles C4'-P-C4' energy: -48.762
flat angles P-C4'-P energy: -27.627
tors. eta vs tors. theta energy: -2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -285.897812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.897812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.897812 (E_RNA)
where:
Base-Base interactions energy: -110.605
where: short stacking energy: -92.229
Base-Backbone interact. energy: 3.559
local terms energy: -178.852452
where:
bonds (distance) C4'-P energy: -41.556
bonds (distance) P-C4' energy: -59.882
flat angles C4'-P-C4' energy: -45.602
flat angles P-C4'-P energy: -32.553
tors. eta vs tors. theta energy: 0.741
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: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1043.706356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.706356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.706356 (E_RNA)
where:
Base-Base interactions energy: -690.243
where: short stacking energy: -291.371
Base-Backbone interact. energy: -0.857
local terms energy: -352.605882
where:
bonds (distance) C4'-P energy: -67.348
bonds (distance) P-C4' energy: -77.600
flat angles C4'-P-C4' energy: -70.489
flat angles P-C4'-P energy: -52.281
tors. eta vs tors. theta energy: -84.888
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: 2, replica: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1020.651933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.651933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.651933 (E_RNA)
where:
Base-Base interactions energy: -698.889
where: short stacking energy: -289.626
Base-Backbone interact. energy: -3.019
local terms energy: -318.743656
where:
bonds (distance) C4'-P energy: -62.683
bonds (distance) P-C4' energy: -67.355
flat angles C4'-P-C4' energy: -65.001
flat angles P-C4'-P energy: -41.440
tors. eta vs tors. theta energy: -82.265
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: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -959.357707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.357707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.357707 (E_RNA)
where:
Base-Base interactions energy: -643.153
where: short stacking energy: -262.999
Base-Backbone interact. energy: -0.777
local terms energy: -315.427783
where:
bonds (distance) C4'-P energy: -57.534
bonds (distance) P-C4' energy: -64.362
flat angles C4'-P-C4' energy: -66.008
flat angles P-C4'-P energy: -48.496
tors. eta vs tors. theta energy: -79.028
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: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -897.783873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.783873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.783873 (E_RNA)
where:
Base-Base interactions energy: -568.134
where: short stacking energy: -254.471
Base-Backbone interact. energy: -0.843
local terms energy: -328.807685
where:
bonds (distance) C4'-P energy: -68.822
bonds (distance) P-C4' energy: -65.532
flat angles C4'-P-C4' energy: -70.990
flat angles P-C4'-P energy: -40.726
tors. eta vs tors. theta energy: -82.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -850.590263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.590263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.590263 (E_RNA)
where:
Base-Base interactions energy: -567.815
where: short stacking energy: -236.129
Base-Backbone interact. energy: -0.364
local terms energy: -282.411309
where:
bonds (distance) C4'-P energy: -51.410
bonds (distance) P-C4' energy: -58.709
flat angles C4'-P-C4' energy: -61.784
flat angles P-C4'-P energy: -45.172
tors. eta vs tors. theta energy: -65.337
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: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -655.524360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.524360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.524360 (E_RNA)
where:
Base-Base interactions energy: -407.821
where: short stacking energy: -194.558
Base-Backbone interact. energy: -0.241
local terms energy: -247.461939
where:
bonds (distance) C4'-P energy: -46.831
bonds (distance) P-C4' energy: -59.953
flat angles C4'-P-C4' energy: -60.393
flat angles P-C4'-P energy: -39.073
tors. eta vs tors. theta energy: -41.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -556.715755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.715755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.715755 (E_RNA)
where:
Base-Base interactions energy: -335.648
where: short stacking energy: -154.937
Base-Backbone interact. energy: 4.266
local terms energy: -225.333276
where:
bonds (distance) C4'-P energy: -62.283
bonds (distance) P-C4' energy: -59.949
flat angles C4'-P-C4' energy: -56.712
flat angles P-C4'-P energy: -29.573
tors. eta vs tors. theta energy: -16.816
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: 118
Temperature: 1.250000
Total energy: -472.305525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.305525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.305525 (E_RNA)
where:
Base-Base interactions energy: -273.415
where: short stacking energy: -124.948
Base-Backbone interact. energy: 0.987
local terms energy: -199.877634
where:
bonds (distance) C4'-P energy: -54.904
bonds (distance) P-C4' energy: -52.508
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -28.857
tors. eta vs tors. theta energy: -7.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -289.381493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.381493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.381493 (E_RNA)
where:
Base-Base interactions energy: -106.110
where: short stacking energy: -93.420
Base-Backbone interact. energy: 1.357
local terms energy: -184.629186
where:
bonds (distance) C4'-P energy: -52.424
bonds (distance) P-C4' energy: -58.216
flat angles C4'-P-C4' energy: -42.938
flat angles P-C4'-P energy: -41.120
tors. eta vs tors. theta energy: 10.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -363.081441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.081441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.081441 (E_RNA)
where:
Base-Base interactions energy: -185.692
where: short stacking energy: -102.331
Base-Backbone interact. energy: 0.429
local terms energy: -177.818279
where:
bonds (distance) C4'-P energy: -58.663
bonds (distance) P-C4' energy: -63.614
flat angles C4'-P-C4' energy: -36.737
flat angles P-C4'-P energy: -23.839
tors. eta vs tors. theta energy: 5.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1046.646103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.646103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.646103 (E_RNA)
where:
Base-Base interactions energy: -691.400
where: short stacking energy: -299.598
Base-Backbone interact. energy: -6.835
local terms energy: -348.411353
where:
bonds (distance) C4'-P energy: -62.075
bonds (distance) P-C4' energy: -70.115
flat angles C4'-P-C4' energy: -75.070
flat angles P-C4'-P energy: -54.079
tors. eta vs tors. theta energy: -87.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1014.191542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.191542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.191542 (E_RNA)
where:
Base-Base interactions energy: -680.783
where: short stacking energy: -292.597
Base-Backbone interact. energy: -1.133
local terms energy: -332.275356
where:
bonds (distance) C4'-P energy: -68.231
bonds (distance) P-C4' energy: -65.214
flat angles C4'-P-C4' energy: -75.720
flat angles P-C4'-P energy: -40.956
tors. eta vs tors. theta energy: -82.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -979.835613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.835613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.835613 (E_RNA)
where:
Base-Base interactions energy: -666.785
where: short stacking energy: -289.629
Base-Backbone interact. energy: -2.381
local terms energy: -310.670282
where:
bonds (distance) C4'-P energy: -59.787
bonds (distance) P-C4' energy: -50.796
flat angles C4'-P-C4' energy: -72.375
flat angles P-C4'-P energy: -48.825
tors. eta vs tors. theta energy: -78.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -867.276031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.276031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.276031 (E_RNA)
where:
Base-Base interactions energy: -562.348
where: short stacking energy: -263.278
Base-Backbone interact. energy: -0.180
local terms energy: -304.747975
where:
bonds (distance) C4'-P energy: -58.231
bonds (distance) P-C4' energy: -57.699
flat angles C4'-P-C4' energy: -76.141
flat angles P-C4'-P energy: -39.585
tors. eta vs tors. theta energy: -73.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -849.184490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.184490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.184490 (E_RNA)
where:
Base-Base interactions energy: -566.050
where: short stacking energy: -240.896
Base-Backbone interact. energy: -1.071
local terms energy: -282.063207
where:
bonds (distance) C4'-P energy: -59.604
bonds (distance) P-C4' energy: -67.255
flat angles C4'-P-C4' energy: -59.660
flat angles P-C4'-P energy: -40.724
tors. eta vs tors. theta energy: -54.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -590.819988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.819988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.819988 (E_RNA)
where:
Base-Base interactions energy: -341.845
where: short stacking energy: -173.136
Base-Backbone interact. energy: 0.049
local terms energy: -249.024081
where:
bonds (distance) C4'-P energy: -60.930
bonds (distance) P-C4' energy: -73.400
flat angles C4'-P-C4' energy: -54.380
flat angles P-C4'-P energy: -34.853
tors. eta vs tors. theta energy: -25.461
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: 7, replica: 3
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -613.009252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.009252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.009252 (E_RNA)
where:
Base-Base interactions energy: -368.633
where: short stacking energy: -171.518
Base-Backbone interact. energy: -2.114
local terms energy: -242.262762
where:
bonds (distance) C4'-P energy: -50.531
bonds (distance) P-C4' energy: -58.450
flat angles C4'-P-C4' energy: -58.188
flat angles P-C4'-P energy: -42.961
tors. eta vs tors. theta energy: -32.134
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: 8, replica: 1
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -444.144659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.144659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.144659 (E_RNA)
where:
Base-Base interactions energy: -237.992
where: short stacking energy: -125.513
Base-Backbone interact. energy: -1.451
local terms energy: -204.701463
where:
bonds (distance) C4'-P energy: -59.003
bonds (distance) P-C4' energy: -56.570
flat angles C4'-P-C4' energy: -55.202
flat angles P-C4'-P energy: -30.298
tors. eta vs tors. theta energy: -3.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -350.910308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.910308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.910308 (E_RNA)
where:
Base-Base interactions energy: -163.045
where: short stacking energy: -97.404
Base-Backbone interact. energy: 2.250
local terms energy: -190.114526
where:
bonds (distance) C4'-P energy: -59.503
bonds (distance) P-C4' energy: -58.410
flat angles C4'-P-C4' energy: -56.996
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: 2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -413.786550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.786550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.786550 (E_RNA)
where:
Base-Base interactions energy: -236.189
where: short stacking energy: -127.343
Base-Backbone interact. energy: 0.912
local terms energy: -178.509370
where:
bonds (distance) C4'-P energy: -45.924
bonds (distance) P-C4' energy: -49.009
flat angles C4'-P-C4' energy: -44.774
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -11.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1040.010134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.010134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.010134 (E_RNA)
where:
Base-Base interactions energy: -723.587
where: short stacking energy: -297.937
Base-Backbone interact. energy: -0.887
local terms energy: -315.536514
where:
bonds (distance) C4'-P energy: -69.369
bonds (distance) P-C4' energy: -61.754
flat angles C4'-P-C4' energy: -65.895
flat angles P-C4'-P energy: -39.925
tors. eta vs tors. theta energy: -78.593
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: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1055.539450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.539450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.539450 (E_RNA)
where:
Base-Base interactions energy: -709.953
where: short stacking energy: -294.752
Base-Backbone interact. energy: 3.399
local terms energy: -348.985569
where:
bonds (distance) C4'-P energy: -65.239
bonds (distance) P-C4' energy: -70.144
flat angles C4'-P-C4' energy: -76.229
flat angles P-C4'-P energy: -55.887
tors. eta vs tors. theta energy: -81.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -945.313907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.313907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.313907 (E_RNA)
where:
Base-Base interactions energy: -641.554
where: short stacking energy: -271.439
Base-Backbone interact. energy: 2.078
local terms energy: -305.838083
where:
bonds (distance) C4'-P energy: -59.485
bonds (distance) P-C4' energy: -57.800
flat angles C4'-P-C4' energy: -71.343
flat angles P-C4'-P energy: -41.724
tors. eta vs tors. theta energy: -75.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -856.534018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.534018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.534018 (E_RNA)
where:
Base-Base interactions energy: -566.927
where: short stacking energy: -255.667
Base-Backbone interact. energy: -2.700
local terms energy: -286.906727
where:
bonds (distance) C4'-P energy: -57.665
bonds (distance) P-C4' energy: -58.307
flat angles C4'-P-C4' energy: -64.276
flat angles P-C4'-P energy: -46.881
tors. eta vs tors. theta energy: -59.778
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: 120
Temperature: 1.100000
Total energy: -855.010559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.010559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.010559 (E_RNA)
where:
Base-Base interactions energy: -578.761
where: short stacking energy: -233.926
Base-Backbone interact. energy: -0.766
local terms energy: -275.704359
where:
bonds (distance) C4'-P energy: -62.995
bonds (distance) P-C4' energy: -53.858
flat angles C4'-P-C4' energy: -58.972
flat angles P-C4'-P energy: -44.708
tors. eta vs tors. theta energy: -55.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.221 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -599.244130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.244130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.244130 (E_RNA)
where:
Base-Base interactions energy: -364.326
where: short stacking energy: -173.250
Base-Backbone interact. energy: 2.737
local terms energy: -237.844828
where:
bonds (distance) C4'-P energy: -56.243
bonds (distance) P-C4' energy: -51.472
flat angles C4'-P-C4' energy: -57.844
flat angles P-C4'-P energy: -47.786
tors. eta vs tors. theta energy: -24.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.190 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -596.193524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.193524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.193524 (E_RNA)
where:
Base-Base interactions energy: -349.497
where: short stacking energy: -169.461
Base-Backbone interact. energy: -0.889
local terms energy: -245.808001
where:
bonds (distance) C4'-P energy: -53.916
bonds (distance) P-C4' energy: -63.712
flat angles C4'-P-C4' energy: -59.860
flat angles P-C4'-P energy: -34.898
tors. eta vs tors. theta energy: -33.422
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: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -446.127706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.127706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.127706 (E_RNA)
where:
Base-Base interactions energy: -259.415
where: short stacking energy: -140.761
Base-Backbone interact. energy: 0.635
local terms energy: -187.347715
where:
bonds (distance) C4'-P energy: -40.615
bonds (distance) P-C4' energy: -55.375
flat angles C4'-P-C4' energy: -45.678
flat angles P-C4'-P energy: -33.193
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -412.019244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.019244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.019244 (E_RNA)
where:
Base-Base interactions energy: -210.997
where: short stacking energy: -110.764
Base-Backbone interact. energy: -0.704
local terms energy: -200.318070
where:
bonds (distance) C4'-P energy: -49.940
bonds (distance) P-C4' energy: -67.807
flat angles C4'-P-C4' energy: -48.344
flat angles P-C4'-P energy: -36.441
tors. eta vs tors. theta energy: 2.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -292.132776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.132776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.132776 (E_RNA)
where:
Base-Base interactions energy: -122.033
where: short stacking energy: -75.917
Base-Backbone interact. energy: 0.763
local terms energy: -170.863196
where:
bonds (distance) C4'-P energy: -51.346
bonds (distance) P-C4' energy: -53.570
flat angles C4'-P-C4' energy: -36.971
flat angles P-C4'-P energy: -31.511
tors. eta vs tors. theta energy: 2.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1057.402661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.402661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.402661 (E_RNA)
where:
Base-Base interactions energy: -718.489
where: short stacking energy: -305.829
Base-Backbone interact. energy: -1.472
local terms energy: -337.441610
where:
bonds (distance) C4'-P energy: -59.099
bonds (distance) P-C4' energy: -68.151
flat angles C4'-P-C4' energy: -72.235
flat angles P-C4'-P energy: -49.333
tors. eta vs tors. theta energy: -88.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1020.655561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.655561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.655561 (E_RNA)
where:
Base-Base interactions energy: -688.451
where: short stacking energy: -296.871
Base-Backbone interact. energy: -2.418
local terms energy: -329.786691
where:
bonds (distance) C4'-P energy: -53.744
bonds (distance) P-C4' energy: -66.507
flat angles C4'-P-C4' energy: -72.384
flat angles P-C4'-P energy: -52.846
tors. eta vs tors. theta energy: -84.306
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: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -937.497130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.497130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.497130 (E_RNA)
where:
Base-Base interactions energy: -631.464
where: short stacking energy: -279.596
Base-Backbone interact. energy: -0.646
local terms energy: -305.387432
where:
bonds (distance) C4'-P energy: -58.896
bonds (distance) P-C4' energy: -51.380
flat angles C4'-P-C4' energy: -68.374
flat angles P-C4'-P energy: -39.571
tors. eta vs tors. theta energy: -87.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -879.144133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.144133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.144133 (E_RNA)
where:
Base-Base interactions energy: -572.447
where: short stacking energy: -260.509
Base-Backbone interact. energy: -1.167
local terms energy: -305.529497
where:
bonds (distance) C4'-P energy: -59.942
bonds (distance) P-C4' energy: -63.174
flat angles C4'-P-C4' energy: -63.589
flat angles P-C4'-P energy: -44.666
tors. eta vs tors. theta energy: -74.158
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: 5, replica: 4
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -833.149988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.149988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.149988 (E_RNA)
where:
Base-Base interactions energy: -546.633
where: short stacking energy: -266.532
Base-Backbone interact. energy: -2.239
local terms energy: -284.277298
where:
bonds (distance) C4'-P energy: -49.060
bonds (distance) P-C4' energy: -54.997
flat angles C4'-P-C4' energy: -64.960
flat angles P-C4'-P energy: -43.067
tors. eta vs tors. theta energy: -72.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -614.375926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.375926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.375926 (E_RNA)
where:
Base-Base interactions energy: -357.744
where: short stacking energy: -179.978
Base-Backbone interact. energy: -0.036
local terms energy: -256.596048
where:
bonds (distance) C4'-P energy: -66.274
bonds (distance) P-C4' energy: -67.218
flat angles C4'-P-C4' energy: -51.278
flat angles P-C4'-P energy: -38.587
tors. eta vs tors. theta energy: -33.239
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: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -541.401877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.401877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.401877 (E_RNA)
where:
Base-Base interactions energy: -333.457
where: short stacking energy: -161.896
Base-Backbone interact. energy: 1.287
local terms energy: -209.232439
where:
bonds (distance) C4'-P energy: -49.530
bonds (distance) P-C4' energy: -48.614
flat angles C4'-P-C4' energy: -47.632
flat angles P-C4'-P energy: -32.694
tors. eta vs tors. theta energy: -30.762
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: 1
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -432.320024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.320024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.320024 (E_RNA)
where:
Base-Base interactions energy: -225.786
where: short stacking energy: -115.792
Base-Backbone interact. energy: -0.078
local terms energy: -206.456145
where:
bonds (distance) C4'-P energy: -55.719
bonds (distance) P-C4' energy: -58.512
flat angles C4'-P-C4' energy: -53.723
flat angles P-C4'-P energy: -31.641
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: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -343.393889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.393889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.393889 (E_RNA)
where:
Base-Base interactions energy: -157.762
where: short stacking energy: -113.655
Base-Backbone interact. energy: -0.688
local terms energy: -184.943354
where:
bonds (distance) C4'-P energy: -47.728
bonds (distance) P-C4' energy: -58.638
flat angles C4'-P-C4' energy: -49.452
flat angles P-C4'-P energy: -20.050
tors. eta vs tors. theta energy: -9.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -326.702821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.702821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.702821 (E_RNA)
where:
Base-Base interactions energy: -153.973
where: short stacking energy: -90.454
Base-Backbone interact. energy: 1.083
local terms energy: -173.813435
where:
bonds (distance) C4'-P energy: -55.198
bonds (distance) P-C4' energy: -48.719
flat angles C4'-P-C4' energy: -54.368
flat angles P-C4'-P energy: -26.445
tors. eta vs tors. theta energy: 10.918
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: 8
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1042.816689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.816689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.816689 (E_RNA)
where:
Base-Base interactions energy: -708.037
where: short stacking energy: -302.251
Base-Backbone interact. energy: -1.557
local terms energy: -333.222791
where:
bonds (distance) C4'-P energy: -59.484
bonds (distance) P-C4' energy: -67.462
flat angles C4'-P-C4' energy: -75.420
flat angles P-C4'-P energy: -48.912
tors. eta vs tors. theta energy: -81.946
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: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1028.982120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.982120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.982120 (E_RNA)
where:
Base-Base interactions energy: -696.116
where: short stacking energy: -273.037
Base-Backbone interact. energy: 2.716
local terms energy: -335.582590
where:
bonds (distance) C4'-P energy: -60.785
bonds (distance) P-C4' energy: -67.487
flat angles C4'-P-C4' energy: -70.563
flat angles P-C4'-P energy: -52.791
tors. eta vs tors. theta energy: -83.957
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: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -923.742085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.742085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.742085 (E_RNA)
where:
Base-Base interactions energy: -602.493
where: short stacking energy: -270.832
Base-Backbone interact. energy: -1.131
local terms energy: -320.118619
where:
bonds (distance) C4'-P energy: -66.643
bonds (distance) P-C4' energy: -61.327
flat angles C4'-P-C4' energy: -68.260
flat angles P-C4'-P energy: -47.356
tors. eta vs tors. theta energy: -76.533
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: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -905.193283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.193283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.193283 (E_RNA)
where:
Base-Base interactions energy: -602.403
where: short stacking energy: -280.497
Base-Backbone interact. energy: 0.237
local terms energy: -303.026999
where:
bonds (distance) C4'-P energy: -51.615
bonds (distance) P-C4' energy: -63.999
flat angles C4'-P-C4' energy: -71.949
flat angles P-C4'-P energy: -40.076
tors. eta vs tors. theta energy: -75.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -817.993691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.993691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.993691 (E_RNA)
where:
Base-Base interactions energy: -513.889
where: short stacking energy: -262.708
Base-Backbone interact. energy: -0.941
local terms energy: -303.163713
where:
bonds (distance) C4'-P energy: -50.413
bonds (distance) P-C4' energy: -62.607
flat angles C4'-P-C4' energy: -64.310
flat angles P-C4'-P energy: -48.367
tors. eta vs tors. theta energy: -77.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -552.271018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.271018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.271018 (E_RNA)
where:
Base-Base interactions energy: -306.456
where: short stacking energy: -144.386
Base-Backbone interact. energy: -1.395
local terms energy: -244.420939
where:
bonds (distance) C4'-P energy: -52.772
bonds (distance) P-C4' energy: -73.142
flat angles C4'-P-C4' energy: -57.576
flat angles P-C4'-P energy: -35.701
tors. eta vs tors. theta energy: -25.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -564.620831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.620831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.620831 (E_RNA)
where:
Base-Base interactions energy: -323.191
where: short stacking energy: -163.211
Base-Backbone interact. energy: -0.559
local terms energy: -240.871422
where:
bonds (distance) C4'-P energy: -61.756
bonds (distance) P-C4' energy: -62.250
flat angles C4'-P-C4' energy: -54.308
flat angles P-C4'-P energy: -33.365
tors. eta vs tors. theta energy: -29.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -458.629060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.629060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.629060 (E_RNA)
where:
Base-Base interactions energy: -248.682
where: short stacking energy: -141.657
Base-Backbone interact. energy: -1.257
local terms energy: -208.690646
where:
bonds (distance) C4'-P energy: -52.373
bonds (distance) P-C4' energy: -64.052
flat angles C4'-P-C4' energy: -39.929
flat angles P-C4'-P energy: -38.006
tors. eta vs tors. theta energy: -14.331
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: 5
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -353.182815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.182815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.182815 (E_RNA)
where:
Base-Base interactions energy: -172.203
where: short stacking energy: -113.454
Base-Backbone interact. energy: -0.673
local terms energy: -180.307519
where:
bonds (distance) C4'-P energy: -45.601
bonds (distance) P-C4' energy: -45.159
flat angles C4'-P-C4' energy: -35.983
flat angles P-C4'-P energy: -37.129
tors. eta vs tors. theta energy: -16.435
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: 10, replica: 6
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -343.604810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.604810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.604810 (E_RNA)
where:
Base-Base interactions energy: -158.556
where: short stacking energy: -77.438
Base-Backbone interact. energy: 2.820
local terms energy: -187.868257
where:
bonds (distance) C4'-P energy: -56.293
bonds (distance) P-C4' energy: -51.369
flat angles C4'-P-C4' energy: -50.343
flat angles P-C4'-P energy: -29.025
tors. eta vs tors. theta energy: -0.839
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: 8
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1034.060803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.060803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.060803 (E_RNA)
where:
Base-Base interactions energy: -698.122
where: short stacking energy: -292.271
Base-Backbone interact. energy: -2.406
local terms energy: -333.533158
where:
bonds (distance) C4'-P energy: -69.453
bonds (distance) P-C4' energy: -59.278
flat angles C4'-P-C4' energy: -72.902
flat angles P-C4'-P energy: -50.588
tors. eta vs tors. theta energy: -81.313
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: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1028.305724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.305724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.305724 (E_RNA)
where:
Base-Base interactions energy: -693.187
where: short stacking energy: -302.261
Base-Backbone interact. energy: -1.279
local terms energy: -333.839325
where:
bonds (distance) C4'-P energy: -66.472
bonds (distance) P-C4' energy: -62.285
flat angles C4'-P-C4' energy: -68.605
flat angles P-C4'-P energy: -45.327
tors. eta vs tors. theta energy: -91.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -935.211622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.211622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.211622 (E_RNA)
where:
Base-Base interactions energy: -630.124
where: short stacking energy: -263.871
Base-Backbone interact. energy: -3.888
local terms energy: -301.199623
where:
bonds (distance) C4'-P energy: -60.668
bonds (distance) P-C4' energy: -60.695
flat angles C4'-P-C4' energy: -62.110
flat angles P-C4'-P energy: -46.740
tors. eta vs tors. theta energy: -70.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -885.829255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.829255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.829255 (E_RNA)
where:
Base-Base interactions energy: -578.860
where: short stacking energy: -265.809
Base-Backbone interact. energy: 0.622
local terms energy: -307.591302
where:
bonds (distance) C4'-P energy: -55.200
bonds (distance) P-C4' energy: -60.670
flat angles C4'-P-C4' energy: -70.195
flat angles P-C4'-P energy: -44.424
tors. eta vs tors. theta energy: -77.103
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: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -839.501634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.501634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.501634 (E_RNA)
where:
Base-Base interactions energy: -547.989
where: short stacking energy: -246.105
Base-Backbone interact. energy: -0.062
local terms energy: -291.449877
where:
bonds (distance) C4'-P energy: -60.827
bonds (distance) P-C4' energy: -62.107
flat angles C4'-P-C4' energy: -58.732
flat angles P-C4'-P energy: -43.079
tors. eta vs tors. theta energy: -66.705
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: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -633.831522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.831522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.831522 (E_RNA)
where:
Base-Base interactions energy: -388.062
where: short stacking energy: -177.033
Base-Backbone interact. energy: -2.390
local terms energy: -243.379397
where:
bonds (distance) C4'-P energy: -54.667
bonds (distance) P-C4' energy: -68.635
flat angles C4'-P-C4' energy: -56.985
flat angles P-C4'-P energy: -30.106
tors. eta vs tors. theta energy: -32.986
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: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -548.489151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.489151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.489151 (E_RNA)
where:
Base-Base interactions energy: -348.814
where: short stacking energy: -168.858
Base-Backbone interact. energy: -0.919
local terms energy: -198.755444
where:
bonds (distance) C4'-P energy: -51.813
bonds (distance) P-C4' energy: -58.128
flat angles C4'-P-C4' energy: -45.219
flat angles P-C4'-P energy: -27.095
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -456.538142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.538142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.538142 (E_RNA)
where:
Base-Base interactions energy: -254.192
where: short stacking energy: -125.406
Base-Backbone interact. energy: 0.685
local terms energy: -203.030235
where:
bonds (distance) C4'-P energy: -60.673
bonds (distance) P-C4' energy: -53.132
flat angles C4'-P-C4' energy: -45.196
flat angles P-C4'-P energy: -31.433
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -352.192750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.192750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.192750 (E_RNA)
where:
Base-Base interactions energy: -176.679
where: short stacking energy: -112.540
Base-Backbone interact. energy: 1.671
local terms energy: -177.239565
where:
bonds (distance) C4'-P energy: -48.329
bonds (distance) P-C4' energy: -66.719
flat angles C4'-P-C4' energy: -49.797
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: 0.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.054 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -338.625344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.625344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.625344 (E_RNA)
where:
Base-Base interactions energy: -164.299
where: short stacking energy: -109.445
Base-Backbone interact. energy: -0.571
local terms energy: -173.754596
where:
bonds (distance) C4'-P energy: -43.428
bonds (distance) P-C4' energy: -56.076
flat angles C4'-P-C4' energy: -43.934
flat angles P-C4'-P energy: -30.487
tors. eta vs tors. theta energy: 0.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1028.574872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.574872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.574872 (E_RNA)
where:
Base-Base interactions energy: -696.086
where: short stacking energy: -294.668
Base-Backbone interact. energy: -1.513
local terms energy: -330.975406
where:
bonds (distance) C4'-P energy: -70.560
bonds (distance) P-C4' energy: -59.684
flat angles C4'-P-C4' energy: -73.551
flat angles P-C4'-P energy: -45.032
tors. eta vs tors. theta energy: -82.149
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: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1025.078765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.078765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.078765 (E_RNA)
where:
Base-Base interactions energy: -696.729
where: short stacking energy: -291.969
Base-Backbone interact. energy: -2.051
local terms energy: -326.298710
where:
bonds (distance) C4'-P energy: -62.063
bonds (distance) P-C4' energy: -65.004
flat angles C4'-P-C4' energy: -66.258
flat angles P-C4'-P energy: -54.374
tors. eta vs tors. theta energy: -78.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -910.802898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.802898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.802898 (E_RNA)
where:
Base-Base interactions energy: -593.256
where: short stacking energy: -265.585
Base-Backbone interact. energy: -0.549
local terms energy: -316.997586
where:
bonds (distance) C4'-P energy: -59.396
bonds (distance) P-C4' energy: -65.518
flat angles C4'-P-C4' energy: -70.523
flat angles P-C4'-P energy: -47.812
tors. eta vs tors. theta energy: -73.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -904.070343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.070343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.070343 (E_RNA)
where:
Base-Base interactions energy: -593.673
where: short stacking energy: -249.644
Base-Backbone interact. energy: -1.283
local terms energy: -309.114834
where:
bonds (distance) C4'-P energy: -56.512
bonds (distance) P-C4' energy: -60.507
flat angles C4'-P-C4' energy: -70.286
flat angles P-C4'-P energy: -54.084
tors. eta vs tors. theta energy: -67.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -814.660864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.660864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.660864 (E_RNA)
where:
Base-Base interactions energy: -523.342
where: short stacking energy: -246.000
Base-Backbone interact. energy: -1.284
local terms energy: -290.034694
where:
bonds (distance) C4'-P energy: -55.706
bonds (distance) P-C4' energy: -62.404
flat angles C4'-P-C4' energy: -67.623
flat angles P-C4'-P energy: -43.134
tors. eta vs tors. theta energy: -61.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -617.792310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.792310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.792310 (E_RNA)
where:
Base-Base interactions energy: -387.976
where: short stacking energy: -193.132
Base-Backbone interact. energy: -0.056
local terms energy: -229.759461
where:
bonds (distance) C4'-P energy: -45.029
bonds (distance) P-C4' energy: -64.266
flat angles C4'-P-C4' energy: -49.224
flat angles P-C4'-P energy: -33.500
tors. eta vs tors. theta energy: -37.741
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: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -604.240996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.240996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.240996 (E_RNA)
where:
Base-Base interactions energy: -359.514
where: short stacking energy: -166.910
Base-Backbone interact. energy: -1.178
local terms energy: -243.548224
where:
bonds (distance) C4'-P energy: -61.719
bonds (distance) P-C4' energy: -54.857
flat angles C4'-P-C4' energy: -59.503
flat angles P-C4'-P energy: -39.487
tors. eta vs tors. theta energy: -27.982
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: 8, replica: 1
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -423.642830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.642830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.642830 (E_RNA)
where:
Base-Base interactions energy: -208.655
where: short stacking energy: -105.025
Base-Backbone interact. energy: -0.477
local terms energy: -214.511394
where:
bonds (distance) C4'-P energy: -52.014
bonds (distance) P-C4' energy: -69.526
flat angles C4'-P-C4' energy: -55.517
flat angles P-C4'-P energy: -36.301
tors. eta vs tors. theta energy: -1.152
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: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -365.595287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.595287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.595287 (E_RNA)
where:
Base-Base interactions energy: -169.130
where: short stacking energy: -94.584
Base-Backbone interact. energy: -0.184
local terms energy: -196.281638
where:
bonds (distance) C4'-P energy: -54.290
bonds (distance) P-C4' energy: -65.314
flat angles C4'-P-C4' energy: -52.081
flat angles P-C4'-P energy: -26.927
tors. eta vs tors. theta energy: 2.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -328.913507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.913507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.913507 (E_RNA)
where:
Base-Base interactions energy: -146.145
where: short stacking energy: -85.526
Base-Backbone interact. energy: -1.688
local terms energy: -181.081077
where:
bonds (distance) C4'-P energy: -53.091
bonds (distance) P-C4' energy: -63.483
flat angles C4'-P-C4' energy: -60.698
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: 7.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1042.234564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.234564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.234564 (E_RNA)
where:
Base-Base interactions energy: -693.353
where: short stacking energy: -303.158
Base-Backbone interact. energy: -2.171
local terms energy: -346.710562
where:
bonds (distance) C4'-P energy: -62.506
bonds (distance) P-C4' energy: -71.210
flat angles C4'-P-C4' energy: -68.174
flat angles P-C4'-P energy: -56.906
tors. eta vs tors. theta energy: -87.915
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: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1032.805043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.805043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.805043 (E_RNA)
where:
Base-Base interactions energy: -715.546
where: short stacking energy: -295.534
Base-Backbone interact. energy: -1.099
local terms energy: -316.160208
where:
bonds (distance) C4'-P energy: -59.596
bonds (distance) P-C4' energy: -60.813
flat angles C4'-P-C4' energy: -69.864
flat angles P-C4'-P energy: -45.157
tors. eta vs tors. theta energy: -80.730
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: 3, replica: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -903.223803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.223803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.223803 (E_RNA)
where:
Base-Base interactions energy: -586.997
where: short stacking energy: -263.134
Base-Backbone interact. energy: 0.540
local terms energy: -316.766841
where:
bonds (distance) C4'-P energy: -60.023
bonds (distance) P-C4' energy: -68.079
flat angles C4'-P-C4' energy: -68.703
flat angles P-C4'-P energy: -45.915
tors. eta vs tors. theta energy: -74.048
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: 10
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -892.943303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.943303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.943303 (E_RNA)
where:
Base-Base interactions energy: -580.875
where: short stacking energy: -275.359
Base-Backbone interact. energy: 0.533
local terms energy: -312.602134
where:
bonds (distance) C4'-P energy: -60.410
bonds (distance) P-C4' energy: -64.690
flat angles C4'-P-C4' energy: -68.033
flat angles P-C4'-P energy: -45.388
tors. eta vs tors. theta energy: -74.081
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: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -815.734615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.734615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.734615 (E_RNA)
where:
Base-Base interactions energy: -521.939
where: short stacking energy: -233.856
Base-Backbone interact. energy: -1.533
local terms energy: -292.262561
where:
bonds (distance) C4'-P energy: -70.612
bonds (distance) P-C4' energy: -49.813
flat angles C4'-P-C4' energy: -59.312
flat angles P-C4'-P energy: -44.509
tors. eta vs tors. theta energy: -68.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -664.670487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.670487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.670487 (E_RNA)
where:
Base-Base interactions energy: -427.716
where: short stacking energy: -204.238
Base-Backbone interact. energy: 1.152
local terms energy: -238.106538
where:
bonds (distance) C4'-P energy: -51.249
bonds (distance) P-C4' energy: -62.057
flat angles C4'-P-C4' energy: -51.141
flat angles P-C4'-P energy: -29.045
tors. eta vs tors. theta energy: -44.615
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: 7, replica: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -542.124406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.124406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.124406 (E_RNA)
where:
Base-Base interactions energy: -308.730
where: short stacking energy: -165.107
Base-Backbone interact. energy: -1.400
local terms energy: -231.994314
where:
bonds (distance) C4'-P energy: -65.250
bonds (distance) P-C4' energy: -48.983
flat angles C4'-P-C4' energy: -58.092
flat angles P-C4'-P energy: -37.260
tors. eta vs tors. theta energy: -22.410
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: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -452.451176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.451176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.451176 (E_RNA)
where:
Base-Base interactions energy: -244.059
where: short stacking energy: -135.706
Base-Backbone interact. energy: -2.026
local terms energy: -206.366587
where:
bonds (distance) C4'-P energy: -55.439
bonds (distance) P-C4' energy: -54.763
flat angles C4'-P-C4' energy: -48.754
flat angles P-C4'-P energy: -33.692
tors. eta vs tors. theta energy: -13.719
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: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -431.369957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.369957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.369957 (E_RNA)
where:
Base-Base interactions energy: -218.449
where: short stacking energy: -106.918
Base-Backbone interact. energy: -3.293
local terms energy: -209.628236
where:
bonds (distance) C4'-P energy: -50.331
bonds (distance) P-C4' energy: -52.061
flat angles C4'-P-C4' energy: -57.172
flat angles P-C4'-P energy: -44.530
tors. eta vs tors. theta energy: -5.535
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: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -277.672956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.672956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.672956 (E_RNA)
where:
Base-Base interactions energy: -115.086
where: short stacking energy: -80.165
Base-Backbone interact. energy: 2.639
local terms energy: -165.226778
where:
bonds (distance) C4'-P energy: -43.004
bonds (distance) P-C4' energy: -62.379
flat angles C4'-P-C4' energy: -43.760
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: 1.341
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: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1031.178126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.178126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.178126 (E_RNA)
where:
Base-Base interactions energy: -705.206
where: short stacking energy: -296.782
Base-Backbone interact. energy: -1.905
local terms energy: -324.067876
where:
bonds (distance) C4'-P energy: -61.891
bonds (distance) P-C4' energy: -65.182
flat angles C4'-P-C4' energy: -69.033
flat angles P-C4'-P energy: -44.492
tors. eta vs tors. theta energy: -83.470
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: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1007.404841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.404841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.404841 (E_RNA)
where:
Base-Base interactions energy: -692.846
where: short stacking energy: -302.557
Base-Backbone interact. energy: -2.336
local terms energy: -312.222854
where:
bonds (distance) C4'-P energy: -62.906
bonds (distance) P-C4' energy: -72.692
flat angles C4'-P-C4' energy: -59.013
flat angles P-C4'-P energy: -47.706
tors. eta vs tors. theta energy: -69.906
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: 3, replica: 10
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -911.748273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.748273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.748273 (E_RNA)
where:
Base-Base interactions energy: -606.754
where: short stacking energy: -255.304
Base-Backbone interact. energy: -1.069
local terms energy: -303.925414
where:
bonds (distance) C4'-P energy: -61.719
bonds (distance) P-C4' energy: -61.025
flat angles C4'-P-C4' energy: -65.747
flat angles P-C4'-P energy: -37.367
tors. eta vs tors. theta energy: -78.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -873.301912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.301912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.301912 (E_RNA)
where:
Base-Base interactions energy: -575.760
where: short stacking energy: -257.770
Base-Backbone interact. energy: -2.229
local terms energy: -295.312650
where:
bonds (distance) C4'-P energy: -57.155
bonds (distance) P-C4' energy: -66.345
flat angles C4'-P-C4' energy: -64.610
flat angles P-C4'-P energy: -42.279
tors. eta vs tors. theta energy: -64.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -842.115290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.115290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.115290 (E_RNA)
where:
Base-Base interactions energy: -545.164
where: short stacking energy: -276.063
Base-Backbone interact. energy: -0.498
local terms energy: -296.453350
where:
bonds (distance) C4'-P energy: -54.728
bonds (distance) P-C4' energy: -64.009
flat angles C4'-P-C4' energy: -71.619
flat angles P-C4'-P energy: -34.782
tors. eta vs tors. theta energy: -71.316
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: 6, replica: 9
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -671.282765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.282765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.282765 (E_RNA)
where:
Base-Base interactions energy: -429.889
where: short stacking energy: -194.837
Base-Backbone interact. energy: 0.792
local terms energy: -242.185676
where:
bonds (distance) C4'-P energy: -49.385
bonds (distance) P-C4' energy: -56.779
flat angles C4'-P-C4' energy: -64.086
flat angles P-C4'-P energy: -36.062
tors. eta vs tors. theta energy: -35.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -557.955544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.955544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.955544 (E_RNA)
where:
Base-Base interactions energy: -353.704
where: short stacking energy: -174.723
Base-Backbone interact. energy: 0.168
local terms energy: -204.419506
where:
bonds (distance) C4'-P energy: -38.180
bonds (distance) P-C4' energy: -56.050
flat angles C4'-P-C4' energy: -52.446
flat angles P-C4'-P energy: -31.398
tors. eta vs tors. theta energy: -26.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -479.144361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.144361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.144361 (E_RNA)
where:
Base-Base interactions energy: -266.926
where: short stacking energy: -120.972
Base-Backbone interact. energy: 0.480
local terms energy: -212.699090
where:
bonds (distance) C4'-P energy: -50.384
bonds (distance) P-C4' energy: -68.601
flat angles C4'-P-C4' energy: -48.030
flat angles P-C4'-P energy: -42.035
tors. eta vs tors. theta energy: -3.649
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: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -469.140860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.140860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.140860 (E_RNA)
where:
Base-Base interactions energy: -259.943
where: short stacking energy: -118.525
Base-Backbone interact. energy: 7.956
local terms energy: -217.153509
where:
bonds (distance) C4'-P energy: -56.294
bonds (distance) P-C4' energy: -57.149
flat angles C4'-P-C4' energy: -55.408
flat angles P-C4'-P energy: -39.446
tors. eta vs tors. theta energy: -8.856
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: 5
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -308.281235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.281235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.281235 (E_RNA)
where:
Base-Base interactions energy: -131.211
where: short stacking energy: -76.034
Base-Backbone interact. energy: -2.313
local terms energy: -174.756764
where:
bonds (distance) C4'-P energy: -55.172
bonds (distance) P-C4' energy: -62.323
flat angles C4'-P-C4' energy: -31.930
flat angles P-C4'-P energy: -36.776
tors. eta vs tors. theta energy: 11.445
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: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1010.518942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.518942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.518942 (E_RNA)
where:
Base-Base interactions energy: -697.447
where: short stacking energy: -276.712
Base-Backbone interact. energy: 0.173
local terms energy: -313.244387
where:
bonds (distance) C4'-P energy: -69.052
bonds (distance) P-C4' energy: -64.836
flat angles C4'-P-C4' energy: -66.510
flat angles P-C4'-P energy: -43.974
tors. eta vs tors. theta energy: -68.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -999.771117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.771117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.771117 (E_RNA)
where:
Base-Base interactions energy: -675.261
where: short stacking energy: -291.290
Base-Backbone interact. energy: -2.532
local terms energy: -321.977710
where:
bonds (distance) C4'-P energy: -67.306
bonds (distance) P-C4' energy: -66.857
flat angles C4'-P-C4' energy: -70.607
flat angles P-C4'-P energy: -42.001
tors. eta vs tors. theta energy: -75.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -942.366857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.366857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.366857 (E_RNA)
where:
Base-Base interactions energy: -614.122
where: short stacking energy: -302.622
Base-Backbone interact. energy: -0.492
local terms energy: -327.753530
where:
bonds (distance) C4'-P energy: -63.264
bonds (distance) P-C4' energy: -62.201
flat angles C4'-P-C4' energy: -68.688
flat angles P-C4'-P energy: -46.052
tors. eta vs tors. theta energy: -87.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -879.737996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.737996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.737996 (E_RNA)
where:
Base-Base interactions energy: -590.787
where: short stacking energy: -248.423
Base-Backbone interact. energy: -0.901
local terms energy: -288.049403
where:
bonds (distance) C4'-P energy: -54.938
bonds (distance) P-C4' energy: -57.561
flat angles C4'-P-C4' energy: -62.790
flat angles P-C4'-P energy: -39.662
tors. eta vs tors. theta energy: -73.099
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: 5, replica: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -802.584780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.584780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.584780 (E_RNA)
where:
Base-Base interactions energy: -522.516
where: short stacking energy: -257.420
Base-Backbone interact. energy: -2.380
local terms energy: -277.688077
where:
bonds (distance) C4'-P energy: -56.289
bonds (distance) P-C4' energy: -66.063
flat angles C4'-P-C4' energy: -53.563
flat angles P-C4'-P energy: -38.944
tors. eta vs tors. theta energy: -62.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -686.783616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.783616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.783616 (E_RNA)
where:
Base-Base interactions energy: -433.133
where: short stacking energy: -201.546
Base-Backbone interact. energy: -1.113
local terms energy: -252.537196
where:
bonds (distance) C4'-P energy: -49.758
bonds (distance) P-C4' energy: -54.548
flat angles C4'-P-C4' energy: -59.893
flat angles P-C4'-P energy: -32.978
tors. eta vs tors. theta energy: -55.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -590.375872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.375872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.375872 (E_RNA)
where:
Base-Base interactions energy: -351.889
where: short stacking energy: -162.972
Base-Backbone interact. energy: -1.007
local terms energy: -237.479810
where:
bonds (distance) C4'-P energy: -47.729
bonds (distance) P-C4' energy: -66.778
flat angles C4'-P-C4' energy: -62.819
flat angles P-C4'-P energy: -30.077
tors. eta vs tors. theta energy: -30.076
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: 8, replica: 1
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -456.160649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.160649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.160649 (E_RNA)
where:
Base-Base interactions energy: -248.742
where: short stacking energy: -148.864
Base-Backbone interact. energy: 2.557
local terms energy: -209.975602
where:
bonds (distance) C4'-P energy: -48.638
bonds (distance) P-C4' energy: -57.333
flat angles C4'-P-C4' energy: -49.553
flat angles P-C4'-P energy: -37.396
tors. eta vs tors. theta energy: -17.055
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: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -472.381616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.381616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.381616 (E_RNA)
where:
Base-Base interactions energy: -280.556
where: short stacking energy: -136.620
Base-Backbone interact. energy: 0.140
local terms energy: -191.964847
where:
bonds (distance) C4'-P energy: -47.506
bonds (distance) P-C4' energy: -52.362
flat angles C4'-P-C4' energy: -47.722
flat angles P-C4'-P energy: -30.275
tors. eta vs tors. theta energy: -14.099
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: 10, replica: 5
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -267.806410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.806410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.806410 (E_RNA)
where:
Base-Base interactions energy: -77.355
where: short stacking energy: -68.908
Base-Backbone interact. energy: -2.631
local terms energy: -187.820104
where:
bonds (distance) C4'-P energy: -56.897
bonds (distance) P-C4' energy: -63.867
flat angles C4'-P-C4' energy: -45.270
flat angles P-C4'-P energy: -35.243
tors. eta vs tors. theta energy: 13.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1017.383931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.383931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.383931 (E_RNA)
where:
Base-Base interactions energy: -710.720
where: short stacking energy: -292.942
Base-Backbone interact. energy: -3.620
local terms energy: -303.044551
where:
bonds (distance) C4'-P energy: -60.212
bonds (distance) P-C4' energy: -67.584
flat angles C4'-P-C4' energy: -60.313
flat angles P-C4'-P energy: -38.975
tors. eta vs tors. theta energy: -75.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -985.243567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.243567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.243567 (E_RNA)
where:
Base-Base interactions energy: -672.828
where: short stacking energy: -287.964
Base-Backbone interact. energy: -0.331
local terms energy: -312.083915
where:
bonds (distance) C4'-P energy: -57.652
bonds (distance) P-C4' energy: -61.661
flat angles C4'-P-C4' energy: -74.438
flat angles P-C4'-P energy: -42.653
tors. eta vs tors. theta energy: -75.681
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: 128
Temperature: 1.000000
Total energy: -900.902734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.902734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.902734 (E_RNA)
where:
Base-Base interactions energy: -574.986
where: short stacking energy: -252.675
Base-Backbone interact. energy: -1.223
local terms energy: -324.693895
where:
bonds (distance) C4'-P energy: -67.353
bonds (distance) P-C4' energy: -62.606
flat angles C4'-P-C4' energy: -70.288
flat angles P-C4'-P energy: -45.048
tors. eta vs tors. theta energy: -79.397
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: 10
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -904.950112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.950112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.950112 (E_RNA)
where:
Base-Base interactions energy: -602.869
where: short stacking energy: -264.879
Base-Backbone interact. energy: -1.425
local terms energy: -300.656290
where:
bonds (distance) C4'-P energy: -57.316
bonds (distance) P-C4' energy: -65.739
flat angles C4'-P-C4' energy: -58.096
flat angles P-C4'-P energy: -39.646
tors. eta vs tors. theta energy: -79.859
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: 5, replica: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -816.433789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.433789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.433789 (E_RNA)
where:
Base-Base interactions energy: -520.755
where: short stacking energy: -222.101
Base-Backbone interact. energy: -1.174
local terms energy: -294.505030
where:
bonds (distance) C4'-P energy: -53.953
bonds (distance) P-C4' energy: -62.884
flat angles C4'-P-C4' energy: -66.723
flat angles P-C4'-P energy: -48.052
tors. eta vs tors. theta energy: -62.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -695.879806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.879806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.879806 (E_RNA)
where:
Base-Base interactions energy: -430.183
where: short stacking energy: -204.454
Base-Backbone interact. energy: 0.085
local terms energy: -265.782533
where:
bonds (distance) C4'-P energy: -59.070
bonds (distance) P-C4' energy: -56.980
flat angles C4'-P-C4' energy: -61.519
flat angles P-C4'-P energy: -43.482
tors. eta vs tors. theta energy: -44.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -542.744091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.744091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.744091 (E_RNA)
where:
Base-Base interactions energy: -329.100
where: short stacking energy: -162.782
Base-Backbone interact. energy: 7.079
local terms energy: -220.722753
where:
bonds (distance) C4'-P energy: -60.485
bonds (distance) P-C4' energy: -64.466
flat angles C4'-P-C4' energy: -49.029
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: -24.603
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: 128
Temperature: 1.250000
Total energy: -480.211201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.211201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.211201 (E_RNA)
where:
Base-Base interactions energy: -273.772
where: short stacking energy: -137.180
Base-Backbone interact. energy: -1.372
local terms energy: -205.067318
where:
bonds (distance) C4'-P energy: -51.840
bonds (distance) P-C4' energy: -55.364
flat angles C4'-P-C4' energy: -47.936
flat angles P-C4'-P energy: -30.654
tors. eta vs tors. theta energy: -19.272
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: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -424.168160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.168160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.168160 (E_RNA)
where:
Base-Base interactions energy: -227.916
where: short stacking energy: -114.628
Base-Backbone interact. energy: 1.697
local terms energy: -197.949586
where:
bonds (distance) C4'-P energy: -56.354
bonds (distance) P-C4' energy: -51.029
flat angles C4'-P-C4' energy: -52.902
flat angles P-C4'-P energy: -32.440
tors. eta vs tors. theta energy: -5.225
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: 5
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -272.173793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.173793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.173793 (E_RNA)
where:
Base-Base interactions energy: -107.517
where: short stacking energy: -70.778
Base-Backbone interact. energy: 4.280
local terms energy: -168.937739
where:
bonds (distance) C4'-P energy: -58.310
bonds (distance) P-C4' energy: -47.322
flat angles C4'-P-C4' energy: -47.574
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: 3.704
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: 1, replica: 8
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1023.514739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.514739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.514739 (E_RNA)
where:
Base-Base interactions energy: -702.136
where: short stacking energy: -300.960
Base-Backbone interact. energy: -0.409
local terms energy: -320.970153
where:
bonds (distance) C4'-P energy: -62.319
bonds (distance) P-C4' energy: -70.129
flat angles C4'-P-C4' energy: -64.556
flat angles P-C4'-P energy: -48.757
tors. eta vs tors. theta energy: -75.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -980.251878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.251878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.251878 (E_RNA)
where:
Base-Base interactions energy: -664.693
where: short stacking energy: -279.341
Base-Backbone interact. energy: -0.439
local terms energy: -315.120023
where:
bonds (distance) C4'-P energy: -66.159
bonds (distance) P-C4' energy: -68.743
flat angles C4'-P-C4' energy: -67.115
flat angles P-C4'-P energy: -40.438
tors. eta vs tors. theta energy: -72.664
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: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -905.711058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.711058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.711058 (E_RNA)
where:
Base-Base interactions energy: -594.836
where: short stacking energy: -261.983
Base-Backbone interact. energy: -1.176
local terms energy: -309.698631
where:
bonds (distance) C4'-P energy: -54.023
bonds (distance) P-C4' energy: -61.973
flat angles C4'-P-C4' energy: -66.794
flat angles P-C4'-P energy: -46.085
tors. eta vs tors. theta energy: -80.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -909.398019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.398019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.398019 (E_RNA)
where:
Base-Base interactions energy: -597.502
where: short stacking energy: -275.917
Base-Backbone interact. energy: 0.915
local terms energy: -312.811134
where:
bonds (distance) C4'-P energy: -57.899
bonds (distance) P-C4' energy: -64.307
flat angles C4'-P-C4' energy: -70.634
flat angles P-C4'-P energy: -43.203
tors. eta vs tors. theta energy: -76.767
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: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -810.589150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.589150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.589150 (E_RNA)
where:
Base-Base interactions energy: -531.934
where: short stacking energy: -246.702
Base-Backbone interact. energy: -1.238
local terms energy: -277.417755
where:
bonds (distance) C4'-P energy: -52.689
bonds (distance) P-C4' energy: -51.030
flat angles C4'-P-C4' energy: -63.456
flat angles P-C4'-P energy: -39.223
tors. eta vs tors. theta energy: -71.020
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: 6, replica: 9
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -691.197666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.197666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.197666 (E_RNA)
where:
Base-Base interactions energy: -436.922
where: short stacking energy: -187.634
Base-Backbone interact. energy: -1.360
local terms energy: -252.915468
where:
bonds (distance) C4'-P energy: -60.194
bonds (distance) P-C4' energy: -62.107
flat angles C4'-P-C4' energy: -54.771
flat angles P-C4'-P energy: -42.735
tors. eta vs tors. theta energy: -33.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -545.238150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.238150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.238150 (E_RNA)
where:
Base-Base interactions energy: -342.983
where: short stacking energy: -153.669
Base-Backbone interact. energy: -0.270
local terms energy: -201.984829
where:
bonds (distance) C4'-P energy: -47.914
bonds (distance) P-C4' energy: -55.228
flat angles C4'-P-C4' energy: -54.049
flat angles P-C4'-P energy: -27.605
tors. eta vs tors. theta energy: -17.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -462.422050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.422050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.422050 (E_RNA)
where:
Base-Base interactions energy: -234.511
where: short stacking energy: -127.685
Base-Backbone interact. energy: -1.456
local terms energy: -226.454954
where:
bonds (distance) C4'-P energy: -63.104
bonds (distance) P-C4' energy: -55.287
flat angles C4'-P-C4' energy: -54.213
flat angles P-C4'-P energy: -46.669
tors. eta vs tors. theta energy: -7.182
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: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -439.347748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.347748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.347748 (E_RNA)
where:
Base-Base interactions energy: -229.140
where: short stacking energy: -123.733
Base-Backbone interact. energy: 0.555
local terms energy: -210.762623
where:
bonds (distance) C4'-P energy: -52.473
bonds (distance) P-C4' energy: -61.167
flat angles C4'-P-C4' energy: -50.664
flat angles P-C4'-P energy: -37.969
tors. eta vs tors. theta energy: -8.490
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: 10, replica: 5
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -287.487300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.487300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.487300 (E_RNA)
where:
Base-Base interactions energy: -128.494
where: short stacking energy: -80.445
Base-Backbone interact. energy: 0.470
local terms energy: -159.463121
where:
bonds (distance) C4'-P energy: -48.535
bonds (distance) P-C4' energy: -44.046
flat angles C4'-P-C4' energy: -38.304
flat angles P-C4'-P energy: -34.474
tors. eta vs tors. theta energy: 5.896
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: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -998.769842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.769842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.769842 (E_RNA)
where:
Base-Base interactions energy: -687.949
where: short stacking energy: -266.240
Base-Backbone interact. energy: -2.748
local terms energy: -308.073706
where:
bonds (distance) C4'-P energy: -62.071
bonds (distance) P-C4' energy: -62.517
flat angles C4'-P-C4' energy: -63.698
flat angles P-C4'-P energy: -53.530
tors. eta vs tors. theta energy: -66.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -994.934598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.934598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.934598 (E_RNA)
where:
Base-Base interactions energy: -684.957
where: short stacking energy: -288.096
Base-Backbone interact. energy: -0.834
local terms energy: -309.143333
where:
bonds (distance) C4'-P energy: -59.396
bonds (distance) P-C4' energy: -65.038
flat angles C4'-P-C4' energy: -66.846
flat angles P-C4'-P energy: -51.601
tors. eta vs tors. theta energy: -66.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -944.228916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.228916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.228916 (E_RNA)
where:
Base-Base interactions energy: -596.079
where: short stacking energy: -275.962
Base-Backbone interact. energy: 3.310
local terms energy: -351.460187
where:
bonds (distance) C4'-P energy: -66.301
bonds (distance) P-C4' energy: -74.137
flat angles C4'-P-C4' energy: -68.310
flat angles P-C4'-P energy: -52.981
tors. eta vs tors. theta energy: -89.731
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: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -892.450098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.450098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.450098 (E_RNA)
where:
Base-Base interactions energy: -560.620
where: short stacking energy: -253.699
Base-Backbone interact. energy: -1.369
local terms energy: -330.461661
where:
bonds (distance) C4'-P energy: -68.028
bonds (distance) P-C4' energy: -64.921
flat angles C4'-P-C4' energy: -67.735
flat angles P-C4'-P energy: -47.407
tors. eta vs tors. theta energy: -82.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -831.098259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.098259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.098259 (E_RNA)
where:
Base-Base interactions energy: -540.003
where: short stacking energy: -235.765
Base-Backbone interact. energy: -0.587
local terms energy: -290.508316
where:
bonds (distance) C4'-P energy: -60.850
bonds (distance) P-C4' energy: -68.049
flat angles C4'-P-C4' energy: -71.323
flat angles P-C4'-P energy: -33.460
tors. eta vs tors. theta energy: -56.825
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: 6, replica: 9
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -681.520588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.520588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.520588 (E_RNA)
where:
Base-Base interactions energy: -406.321
where: short stacking energy: -199.350
Base-Backbone interact. energy: -1.042
local terms energy: -274.156907
where:
bonds (distance) C4'-P energy: -60.248
bonds (distance) P-C4' energy: -68.169
flat angles C4'-P-C4' energy: -56.403
flat angles P-C4'-P energy: -48.959
tors. eta vs tors. theta energy: -40.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -572.377206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.377206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.377206 (E_RNA)
where:
Base-Base interactions energy: -352.920
where: short stacking energy: -166.056
Base-Backbone interact. energy: 0.745
local terms energy: -220.202232
where:
bonds (distance) C4'-P energy: -51.727
bonds (distance) P-C4' energy: -57.373
flat angles C4'-P-C4' energy: -42.896
flat angles P-C4'-P energy: -33.173
tors. eta vs tors. theta energy: -35.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -465.193966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.193966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.193966 (E_RNA)
where:
Base-Base interactions energy: -248.782
where: short stacking energy: -135.088
Base-Backbone interact. energy: -0.127
local terms energy: -216.284720
where:
bonds (distance) C4'-P energy: -54.014
bonds (distance) P-C4' energy: -55.288
flat angles C4'-P-C4' energy: -40.137
flat angles P-C4'-P energy: -41.224
tors. eta vs tors. theta energy: -25.621
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: 130
Temperature: 1.300000
Total energy: -459.411704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.411704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.411704 (E_RNA)
where:
Base-Base interactions energy: -253.742
where: short stacking energy: -129.083
Base-Backbone interact. energy: 0.140
local terms energy: -205.809595
where:
bonds (distance) C4'-P energy: -47.320
bonds (distance) P-C4' energy: -59.727
flat angles C4'-P-C4' energy: -51.970
flat angles P-C4'-P energy: -33.076
tors. eta vs tors. theta energy: -13.717
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: 5
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -242.676482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.676482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.676482 (E_RNA)
where:
Base-Base interactions energy: -72.838
where: short stacking energy: -63.839
Base-Backbone interact. energy: 2.698
local terms energy: -172.536002
where:
bonds (distance) C4'-P energy: -46.832
bonds (distance) P-C4' energy: -69.057
flat angles C4'-P-C4' energy: -44.312
flat angles P-C4'-P energy: -31.754
tors. eta vs tors. theta energy: 19.419
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: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1021.636395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.636395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.636395 (E_RNA)
where:
Base-Base interactions energy: -690.995
where: short stacking energy: -299.751
Base-Backbone interact. energy: -1.535
local terms energy: -329.106316
where:
bonds (distance) C4'-P energy: -64.212
bonds (distance) P-C4' energy: -65.688
flat angles C4'-P-C4' energy: -73.010
flat angles P-C4'-P energy: -48.677
tors. eta vs tors. theta energy: -77.519
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: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -977.336091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.336091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.336091 (E_RNA)
where:
Base-Base interactions energy: -667.412
where: short stacking energy: -271.844
Base-Backbone interact. energy: -0.172
local terms energy: -309.752009
where:
bonds (distance) C4'-P energy: -58.562
bonds (distance) P-C4' energy: -68.363
flat angles C4'-P-C4' energy: -71.258
flat angles P-C4'-P energy: -41.068
tors. eta vs tors. theta energy: -70.501
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: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -953.888345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.888345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.888345 (E_RNA)
where:
Base-Base interactions energy: -632.966
where: short stacking energy: -281.581
Base-Backbone interact. energy: 1.071
local terms energy: -321.993915
where:
bonds (distance) C4'-P energy: -55.419
bonds (distance) P-C4' energy: -70.850
flat angles C4'-P-C4' energy: -69.850
flat angles P-C4'-P energy: -44.409
tors. eta vs tors. theta energy: -81.466
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: 4, replica: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -889.059034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.059034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.059034 (E_RNA)
where:
Base-Base interactions energy: -571.584
where: short stacking energy: -265.314
Base-Backbone interact. energy: -0.166
local terms energy: -317.308430
where:
bonds (distance) C4'-P energy: -54.623
bonds (distance) P-C4' energy: -65.626
flat angles C4'-P-C4' energy: -70.994
flat angles P-C4'-P energy: -49.440
tors. eta vs tors. theta energy: -76.625
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: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -849.073377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.073377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.073377 (E_RNA)
where:
Base-Base interactions energy: -552.278
where: short stacking energy: -262.691
Base-Backbone interact. energy: -0.778
local terms energy: -296.017817
where:
bonds (distance) C4'-P energy: -55.492
bonds (distance) P-C4' energy: -62.834
flat angles C4'-P-C4' energy: -68.158
flat angles P-C4'-P energy: -36.060
tors. eta vs tors. theta energy: -73.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -678.061366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.061366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.061366 (E_RNA)
where:
Base-Base interactions energy: -422.454
where: short stacking energy: -206.478
Base-Backbone interact. energy: -0.943
local terms energy: -254.664284
where:
bonds (distance) C4'-P energy: -60.082
bonds (distance) P-C4' energy: -59.453
flat angles C4'-P-C4' energy: -61.993
flat angles P-C4'-P energy: -26.511
tors. eta vs tors. theta energy: -46.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -599.101951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.101951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.101951 (E_RNA)
where:
Base-Base interactions energy: -374.484
where: short stacking energy: -187.009
Base-Backbone interact. energy: -2.746
local terms energy: -221.937027
where:
bonds (distance) C4'-P energy: -49.785
bonds (distance) P-C4' energy: -63.349
flat angles C4'-P-C4' energy: -38.538
flat angles P-C4'-P energy: -37.872
tors. eta vs tors. theta energy: -32.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.065 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -523.079413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.079413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.079413 (E_RNA)
where:
Base-Base interactions energy: -302.607
where: short stacking energy: -163.357
Base-Backbone interact. energy: -1.640
local terms energy: -219.971097
where:
bonds (distance) C4'-P energy: -54.947
bonds (distance) P-C4' energy: -60.577
flat angles C4'-P-C4' energy: -43.278
flat angles P-C4'-P energy: -32.328
tors. eta vs tors. theta energy: -28.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.139 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -449.949362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.949362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.949362 (E_RNA)
where:
Base-Base interactions energy: -271.146
where: short stacking energy: -143.998
Base-Backbone interact. energy: 1.714
local terms energy: -180.517686
where:
bonds (distance) C4'-P energy: -49.350
bonds (distance) P-C4' energy: -56.402
flat angles C4'-P-C4' energy: -35.000
flat angles P-C4'-P energy: -26.790
tors. eta vs tors. theta energy: -12.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -285.977119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.977119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.977119 (E_RNA)
where:
Base-Base interactions energy: -113.240
where: short stacking energy: -86.060
Base-Backbone interact. energy: -0.797
local terms energy: -171.940196
where:
bonds (distance) C4'-P energy: -51.715
bonds (distance) P-C4' energy: -54.331
flat angles C4'-P-C4' energy: -48.766
flat angles P-C4'-P energy: -28.393
tors. eta vs tors. theta energy: 11.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -994.801298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.801298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.801298 (E_RNA)
where:
Base-Base interactions energy: -657.171
where: short stacking energy: -281.681
Base-Backbone interact. energy: -3.363
local terms energy: -334.268143
where:
bonds (distance) C4'-P energy: -68.413
bonds (distance) P-C4' energy: -64.750
flat angles C4'-P-C4' energy: -69.046
flat angles P-C4'-P energy: -50.861
tors. eta vs tors. theta energy: -81.199
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: 2, replica: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1000.447537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.447537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.447537 (E_RNA)
where:
Base-Base interactions energy: -676.584
where: short stacking energy: -293.621
Base-Backbone interact. energy: -1.757
local terms energy: -322.106388
where:
bonds (distance) C4'-P energy: -58.582
bonds (distance) P-C4' energy: -63.104
flat angles C4'-P-C4' energy: -68.136
flat angles P-C4'-P energy: -50.163
tors. eta vs tors. theta energy: -82.122
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: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -930.101372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.101372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.101372 (E_RNA)
where:
Base-Base interactions energy: -605.116
where: short stacking energy: -282.817
Base-Backbone interact. energy: -1.537
local terms energy: -323.448495
where:
bonds (distance) C4'-P energy: -61.593
bonds (distance) P-C4' energy: -63.044
flat angles C4'-P-C4' energy: -68.236
flat angles P-C4'-P energy: -43.976
tors. eta vs tors. theta energy: -86.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -893.967718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.967718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.967718 (E_RNA)
where:
Base-Base interactions energy: -596.275
where: short stacking energy: -250.999
Base-Backbone interact. energy: -1.428
local terms energy: -296.265018
where:
bonds (distance) C4'-P energy: -56.187
bonds (distance) P-C4' energy: -60.125
flat angles C4'-P-C4' energy: -69.365
flat angles P-C4'-P energy: -38.269
tors. eta vs tors. theta energy: -72.319
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: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -803.591324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.591324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.591324 (E_RNA)
where:
Base-Base interactions energy: -524.396
where: short stacking energy: -250.323
Base-Backbone interact. energy: -2.854
local terms energy: -276.341601
where:
bonds (distance) C4'-P energy: -49.438
bonds (distance) P-C4' energy: -53.375
flat angles C4'-P-C4' energy: -63.722
flat angles P-C4'-P energy: -45.078
tors. eta vs tors. theta energy: -64.728
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: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -699.471969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.471969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.471969 (E_RNA)
where:
Base-Base interactions energy: -444.899
where: short stacking energy: -197.034
Base-Backbone interact. energy: 2.165
local terms energy: -256.738020
where:
bonds (distance) C4'-P energy: -41.387
bonds (distance) P-C4' energy: -68.324
flat angles C4'-P-C4' energy: -60.133
flat angles P-C4'-P energy: -44.935
tors. eta vs tors. theta energy: -41.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -595.718909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.718909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.718909 (E_RNA)
where:
Base-Base interactions energy: -363.808
where: short stacking energy: -206.236
Base-Backbone interact. energy: -2.622
local terms energy: -229.288921
where:
bonds (distance) C4'-P energy: -55.989
bonds (distance) P-C4' energy: -53.486
flat angles C4'-P-C4' energy: -58.061
flat angles P-C4'-P energy: -23.249
tors. eta vs tors. theta energy: -38.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -522.750404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.750404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.750404 (E_RNA)
where:
Base-Base interactions energy: -296.315
where: short stacking energy: -156.316
Base-Backbone interact. energy: 1.225
local terms energy: -227.660205
where:
bonds (distance) C4'-P energy: -45.245
bonds (distance) P-C4' energy: -60.231
flat angles C4'-P-C4' energy: -56.083
flat angles P-C4'-P energy: -39.562
tors. eta vs tors. theta energy: -26.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -304.048295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.048295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.048295 (E_RNA)
where:
Base-Base interactions energy: -134.919
where: short stacking energy: -87.909
Base-Backbone interact. energy: 2.306
local terms energy: -171.435249
where:
bonds (distance) C4'-P energy: -48.697
bonds (distance) P-C4' energy: -55.618
flat angles C4'-P-C4' energy: -35.043
flat angles P-C4'-P energy: -30.436
tors. eta vs tors. theta energy: -1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -325.114197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.114197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.114197 (E_RNA)
where:
Base-Base interactions energy: -135.554
where: short stacking energy: -65.443
Base-Backbone interact. energy: -1.702
local terms energy: -187.857933
where:
bonds (distance) C4'-P energy: -55.820
bonds (distance) P-C4' energy: -63.613
flat angles C4'-P-C4' energy: -52.399
flat angles P-C4'-P energy: -24.519
tors. eta vs tors. theta energy: 8.493
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: 1, replica: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1000.891040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.891040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.891040 (E_RNA)
where:
Base-Base interactions energy: -676.998
where: short stacking energy: -282.327
Base-Backbone interact. energy: -2.472
local terms energy: -321.421117
where:
bonds (distance) C4'-P energy: -63.144
bonds (distance) P-C4' energy: -72.889
flat angles C4'-P-C4' energy: -69.849
flat angles P-C4'-P energy: -35.227
tors. eta vs tors. theta energy: -80.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -990.320820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.320820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.320820 (E_RNA)
where:
Base-Base interactions energy: -669.054
where: short stacking energy: -300.964
Base-Backbone interact. energy: -5.651
local terms energy: -315.616352
where:
bonds (distance) C4'-P energy: -63.014
bonds (distance) P-C4' energy: -63.720
flat angles C4'-P-C4' energy: -67.126
flat angles P-C4'-P energy: -47.883
tors. eta vs tors. theta energy: -73.874
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: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -967.964367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.964367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.964367 (E_RNA)
where:
Base-Base interactions energy: -624.648
where: short stacking energy: -269.729
Base-Backbone interact. energy: -2.922
local terms energy: -340.394058
where:
bonds (distance) C4'-P energy: -59.978
bonds (distance) P-C4' energy: -69.557
flat angles C4'-P-C4' energy: -70.960
flat angles P-C4'-P energy: -53.966
tors. eta vs tors. theta energy: -85.933
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: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -916.833264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.833264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.833264 (E_RNA)
where:
Base-Base interactions energy: -615.101
where: short stacking energy: -260.784
Base-Backbone interact. energy: -1.591
local terms energy: -300.141211
where:
bonds (distance) C4'-P energy: -60.715
bonds (distance) P-C4' energy: -60.423
flat angles C4'-P-C4' energy: -67.701
flat angles P-C4'-P energy: -43.817
tors. eta vs tors. theta energy: -67.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -786.704446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.704446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.704446 (E_RNA)
where:
Base-Base interactions energy: -512.692
where: short stacking energy: -237.847
Base-Backbone interact. energy: -0.241
local terms energy: -273.770933
where:
bonds (distance) C4'-P energy: -50.060
bonds (distance) P-C4' energy: -54.704
flat angles C4'-P-C4' energy: -67.507
flat angles P-C4'-P energy: -35.164
tors. eta vs tors. theta energy: -66.336
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: 6, replica: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -720.609901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.609901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.609901 (E_RNA)
where:
Base-Base interactions energy: -473.716
where: short stacking energy: -214.673
Base-Backbone interact. energy: -1.621
local terms energy: -245.273204
where:
bonds (distance) C4'-P energy: -48.144
bonds (distance) P-C4' energy: -58.170
flat angles C4'-P-C4' energy: -55.560
flat angles P-C4'-P energy: -42.730
tors. eta vs tors. theta energy: -40.669
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: 7, replica: 6
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -556.978638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.978638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.978638 (E_RNA)
where:
Base-Base interactions energy: -315.518
where: short stacking energy: -157.258
Base-Backbone interact. energy: 1.130
local terms energy: -242.589950
where:
bonds (distance) C4'-P energy: -60.915
bonds (distance) P-C4' energy: -66.340
flat angles C4'-P-C4' energy: -53.423
flat angles P-C4'-P energy: -32.648
tors. eta vs tors. theta energy: -29.265
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: 3
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -518.769712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.769712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.769712 (E_RNA)
where:
Base-Base interactions energy: -303.221
where: short stacking energy: -132.551
Base-Backbone interact. energy: 0.528
local terms energy: -216.923902
where:
bonds (distance) C4'-P energy: -64.204
bonds (distance) P-C4' energy: -46.551
flat angles C4'-P-C4' energy: -54.776
flat angles P-C4'-P energy: -22.218
tors. eta vs tors. theta energy: -29.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.847 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -353.695859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.695859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.695859 (E_RNA)
where:
Base-Base interactions energy: -162.451
where: short stacking energy: -95.857
Base-Backbone interact. energy: 0.916
local terms energy: -192.160339
where:
bonds (distance) C4'-P energy: -50.035
bonds (distance) P-C4' energy: -65.447
flat angles C4'-P-C4' energy: -47.101
flat angles P-C4'-P energy: -30.607
tors. eta vs tors. theta energy: 1.030
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: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -321.313096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.313096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.313096 (E_RNA)
where:
Base-Base interactions energy: -143.848
where: short stacking energy: -84.707
Base-Backbone interact. energy: -0.947
local terms energy: -176.518141
where:
bonds (distance) C4'-P energy: -49.998
bonds (distance) P-C4' energy: -53.664
flat angles C4'-P-C4' energy: -52.369
flat angles P-C4'-P energy: -27.752
tors. eta vs tors. theta energy: 7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1021.041792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.041792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.041792 (E_RNA)
where:
Base-Base interactions energy: -706.177
where: short stacking energy: -308.562
Base-Backbone interact. energy: -1.798
local terms energy: -313.066805
where:
bonds (distance) C4'-P energy: -65.127
bonds (distance) P-C4' energy: -52.020
flat angles C4'-P-C4' energy: -71.166
flat angles P-C4'-P energy: -38.904
tors. eta vs tors. theta energy: -85.849
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: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -991.037314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.037314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.037314 (E_RNA)
where:
Base-Base interactions energy: -669.226
where: short stacking energy: -298.712
Base-Backbone interact. energy: -2.909
local terms energy: -318.902359
where:
bonds (distance) C4'-P energy: -59.599
bonds (distance) P-C4' energy: -69.369
flat angles C4'-P-C4' energy: -68.664
flat angles P-C4'-P energy: -41.514
tors. eta vs tors. theta energy: -79.756
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: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -948.181146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.181146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.181146 (E_RNA)
where:
Base-Base interactions energy: -626.535
where: short stacking energy: -285.106
Base-Backbone interact. energy: 0.009
local terms energy: -321.654443
where:
bonds (distance) C4'-P energy: -62.449
bonds (distance) P-C4' energy: -62.565
flat angles C4'-P-C4' energy: -67.891
flat angles P-C4'-P energy: -51.002
tors. eta vs tors. theta energy: -77.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -862.625054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.625054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.625054 (E_RNA)
where:
Base-Base interactions energy: -563.832
where: short stacking energy: -252.892
Base-Backbone interact. energy: -1.799
local terms energy: -296.994410
where:
bonds (distance) C4'-P energy: -63.584
bonds (distance) P-C4' energy: -51.618
flat angles C4'-P-C4' energy: -64.494
flat angles P-C4'-P energy: -44.819
tors. eta vs tors. theta energy: -72.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -766.772351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.772351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.772351 (E_RNA)
where:
Base-Base interactions energy: -490.266
where: short stacking energy: -211.529
Base-Backbone interact. energy: -0.104
local terms energy: -276.402274
where:
bonds (distance) C4'-P energy: -58.471
bonds (distance) P-C4' energy: -59.844
flat angles C4'-P-C4' energy: -65.032
flat angles P-C4'-P energy: -38.682
tors. eta vs tors. theta energy: -54.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -761.814020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.814020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.814020 (E_RNA)
where:
Base-Base interactions energy: -486.240
where: short stacking energy: -249.494
Base-Backbone interact. energy: 0.830
local terms energy: -276.403734
where:
bonds (distance) C4'-P energy: -48.180
bonds (distance) P-C4' energy: -58.087
flat angles C4'-P-C4' energy: -61.979
flat angles P-C4'-P energy: -38.986
tors. eta vs tors. theta energy: -69.171
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: 6
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -546.481602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.481602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.481602 (E_RNA)
where:
Base-Base interactions energy: -332.588
where: short stacking energy: -179.882
Base-Backbone interact. energy: 3.234
local terms energy: -217.127361
where:
bonds (distance) C4'-P energy: -56.601
bonds (distance) P-C4' energy: -48.786
flat angles C4'-P-C4' energy: -48.278
flat angles P-C4'-P energy: -25.970
tors. eta vs tors. theta energy: -37.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -498.031766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.031766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.031766 (E_RNA)
where:
Base-Base interactions energy: -298.081
where: short stacking energy: -160.335
Base-Backbone interact. energy: -0.961
local terms energy: -198.989231
where:
bonds (distance) C4'-P energy: -64.609
bonds (distance) P-C4' energy: -36.179
flat angles C4'-P-C4' energy: -40.319
flat angles P-C4'-P energy: -32.395
tors. eta vs tors. theta energy: -25.488
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: 9, replica: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -327.890599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.890599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.890599 (E_RNA)
where:
Base-Base interactions energy: -142.172
where: short stacking energy: -97.235
Base-Backbone interact. energy: -0.282
local terms energy: -185.437111
where:
bonds (distance) C4'-P energy: -62.089
bonds (distance) P-C4' energy: -61.759
flat angles C4'-P-C4' energy: -37.361
flat angles P-C4'-P energy: -28.631
tors. eta vs tors. theta energy: 4.402
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: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -310.521835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.521835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.521835 (E_RNA)
where:
Base-Base interactions energy: -133.700
where: short stacking energy: -76.437
Base-Backbone interact. energy: 0.388
local terms energy: -177.209380
where:
bonds (distance) C4'-P energy: -55.770
bonds (distance) P-C4' energy: -64.436
flat angles C4'-P-C4' energy: -44.028
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: 1.271
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: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1018.974427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.974427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.974427 (E_RNA)
where:
Base-Base interactions energy: -688.211
where: short stacking energy: -288.690
Base-Backbone interact. energy: -1.938
local terms energy: -328.825088
where:
bonds (distance) C4'-P energy: -69.745
bonds (distance) P-C4' energy: -64.853
flat angles C4'-P-C4' energy: -68.735
flat angles P-C4'-P energy: -47.269
tors. eta vs tors. theta energy: -78.223
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: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -987.466218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.466218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.466218 (E_RNA)
where:
Base-Base interactions energy: -670.367
where: short stacking energy: -278.742
Base-Backbone interact. energy: -2.317
local terms energy: -314.781737
where:
bonds (distance) C4'-P energy: -61.130
bonds (distance) P-C4' energy: -62.100
flat angles C4'-P-C4' energy: -72.652
flat angles P-C4'-P energy: -42.821
tors. eta vs tors. theta energy: -76.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -958.077583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.077583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.077583 (E_RNA)
where:
Base-Base interactions energy: -626.523
where: short stacking energy: -291.688
Base-Backbone interact. energy: 0.225
local terms energy: -331.779357
where:
bonds (distance) C4'-P energy: -70.280
bonds (distance) P-C4' energy: -58.314
flat angles C4'-P-C4' energy: -70.499
flat angles P-C4'-P energy: -46.814
tors. eta vs tors. theta energy: -85.873
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: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -873.544702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.544702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.544702 (E_RNA)
where:
Base-Base interactions energy: -559.852
where: short stacking energy: -264.444
Base-Backbone interact. energy: -3.624
local terms energy: -310.068587
where:
bonds (distance) C4'-P energy: -56.852
bonds (distance) P-C4' energy: -64.776
flat angles C4'-P-C4' energy: -62.655
flat angles P-C4'-P energy: -50.332
tors. eta vs tors. theta energy: -75.454
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: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -775.513951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.513951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.513951 (E_RNA)
where:
Base-Base interactions energy: -498.124
where: short stacking energy: -238.637
Base-Backbone interact. energy: 1.385
local terms energy: -278.775027
where:
bonds (distance) C4'-P energy: -47.772
bonds (distance) P-C4' energy: -61.916
flat angles C4'-P-C4' energy: -61.412
flat angles P-C4'-P energy: -46.623
tors. eta vs tors. theta energy: -61.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -730.446889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.446889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.446889 (E_RNA)
where:
Base-Base interactions energy: -461.941
where: short stacking energy: -211.147
Base-Backbone interact. energy: 0.904
local terms energy: -269.410454
where:
bonds (distance) C4'-P energy: -61.103
bonds (distance) P-C4' energy: -65.045
flat angles C4'-P-C4' energy: -65.332
flat angles P-C4'-P energy: -39.448
tors. eta vs tors. theta energy: -38.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -531.528070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.528070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.528070 (E_RNA)
where:
Base-Base interactions energy: -296.071
where: short stacking energy: -141.838
Base-Backbone interact. energy: -0.068
local terms energy: -235.389290
where:
bonds (distance) C4'-P energy: -56.167
bonds (distance) P-C4' energy: -56.905
flat angles C4'-P-C4' energy: -60.949
flat angles P-C4'-P energy: -41.933
tors. eta vs tors. theta energy: -19.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -537.482599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.482599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.482599 (E_RNA)
where:
Base-Base interactions energy: -331.208
where: short stacking energy: -161.445
Base-Backbone interact. energy: -2.386
local terms energy: -203.888843
where:
bonds (distance) C4'-P energy: -63.858
bonds (distance) P-C4' energy: -48.482
flat angles C4'-P-C4' energy: -41.090
flat angles P-C4'-P energy: -31.012
tors. eta vs tors. theta energy: -19.446
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: 135
Temperature: 1.300000
Total energy: -328.776204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.776204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.776204 (E_RNA)
where:
Base-Base interactions energy: -134.779
where: short stacking energy: -71.576
Base-Backbone interact. energy: -1.636
local terms energy: -192.360760
where:
bonds (distance) C4'-P energy: -51.170
bonds (distance) P-C4' energy: -59.595
flat angles C4'-P-C4' energy: -54.403
flat angles P-C4'-P energy: -31.405
tors. eta vs tors. theta energy: 4.212
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: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -341.540332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.540332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.540332 (E_RNA)
where:
Base-Base interactions energy: -147.348
where: short stacking energy: -95.339
Base-Backbone interact. energy: -1.541
local terms energy: -192.651153
where:
bonds (distance) C4'-P energy: -56.489
bonds (distance) P-C4' energy: -49.986
flat angles C4'-P-C4' energy: -55.632
flat angles P-C4'-P energy: -33.027
tors. eta vs tors. theta energy: 2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1060.581641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.581641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.581641 (E_RNA)
where:
Base-Base interactions energy: -727.774
where: short stacking energy: -312.909
Base-Backbone interact. energy: -0.214
local terms energy: -332.594214
where:
bonds (distance) C4'-P energy: -61.425
bonds (distance) P-C4' energy: -62.889
flat angles C4'-P-C4' energy: -73.441
flat angles P-C4'-P energy: -50.661
tors. eta vs tors. theta energy: -84.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -995.620456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.620456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.620456 (E_RNA)
where:
Base-Base interactions energy: -659.816
where: short stacking energy: -283.170
Base-Backbone interact. energy: -0.446
local terms energy: -335.358024
where:
bonds (distance) C4'-P energy: -63.900
bonds (distance) P-C4' energy: -70.958
flat angles C4'-P-C4' energy: -69.626
flat angles P-C4'-P energy: -49.286
tors. eta vs tors. theta energy: -81.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -968.542110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.542110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.542110 (E_RNA)
where:
Base-Base interactions energy: -657.143
where: short stacking energy: -320.567
Base-Backbone interact. energy: 2.919
local terms energy: -314.317610
where:
bonds (distance) C4'-P energy: -55.222
bonds (distance) P-C4' energy: -56.911
flat angles C4'-P-C4' energy: -65.615
flat angles P-C4'-P energy: -46.422
tors. eta vs tors. theta energy: -90.146
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: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -856.880710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.880710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.880710 (E_RNA)
where:
Base-Base interactions energy: -564.083
where: short stacking energy: -241.629
Base-Backbone interact. energy: -0.272
local terms energy: -292.525908
where:
bonds (distance) C4'-P energy: -61.537
bonds (distance) P-C4' energy: -51.200
flat angles C4'-P-C4' energy: -71.519
flat angles P-C4'-P energy: -36.444
tors. eta vs tors. theta energy: -71.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -779.171735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.171735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.171735 (E_RNA)
where:
Base-Base interactions energy: -492.595
where: short stacking energy: -233.248
Base-Backbone interact. energy: -0.004
local terms energy: -286.572627
where:
bonds (distance) C4'-P energy: -57.718
bonds (distance) P-C4' energy: -59.633
flat angles C4'-P-C4' energy: -65.091
flat angles P-C4'-P energy: -44.482
tors. eta vs tors. theta energy: -59.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -743.092977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.092977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.092977 (E_RNA)
where:
Base-Base interactions energy: -472.098
where: short stacking energy: -219.808
Base-Backbone interact. energy: -0.009
local terms energy: -270.985560
where:
bonds (distance) C4'-P energy: -63.662
bonds (distance) P-C4' energy: -49.205
flat angles C4'-P-C4' energy: -62.608
flat angles P-C4'-P energy: -43.216
tors. eta vs tors. theta energy: -52.295
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: 136
Temperature: 1.200000
Total energy: -580.143264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.143264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.143264 (E_RNA)
where:
Base-Base interactions energy: -332.031
where: short stacking energy: -161.427
Base-Backbone interact. energy: -0.684
local terms energy: -247.826741
where:
bonds (distance) C4'-P energy: -55.698
bonds (distance) P-C4' energy: -66.516
flat angles C4'-P-C4' energy: -54.168
flat angles P-C4'-P energy: -40.132
tors. eta vs tors. theta energy: -31.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.398 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -517.705806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.705806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.705806 (E_RNA)
where:
Base-Base interactions energy: -293.970
where: short stacking energy: -144.209
Base-Backbone interact. energy: -1.149
local terms energy: -222.586227
where:
bonds (distance) C4'-P energy: -48.528
bonds (distance) P-C4' energy: -64.076
flat angles C4'-P-C4' energy: -57.856
flat angles P-C4'-P energy: -27.410
tors. eta vs tors. theta energy: -24.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -296.570196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.570196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.570196 (E_RNA)
where:
Base-Base interactions energy: -115.998
where: short stacking energy: -77.201
Base-Backbone interact. energy: -1.744
local terms energy: -178.827998
where:
bonds (distance) C4'-P energy: -38.188
bonds (distance) P-C4' energy: -58.733
flat angles C4'-P-C4' energy: -47.089
flat angles P-C4'-P energy: -35.339
tors. eta vs tors. theta energy: 0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -341.603566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.603566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.603566 (E_RNA)
where:
Base-Base interactions energy: -163.690
where: short stacking energy: -101.486
Base-Backbone interact. energy: 1.326
local terms energy: -179.239714
where:
bonds (distance) C4'-P energy: -55.170
bonds (distance) P-C4' energy: -50.173
flat angles C4'-P-C4' energy: -50.086
flat angles P-C4'-P energy: -26.452
tors. eta vs tors. theta energy: 2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1022.590430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.590430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.590430 (E_RNA)
where:
Base-Base interactions energy: -678.562
where: short stacking energy: -281.975
Base-Backbone interact. energy: -1.741
local terms energy: -342.287180
where:
bonds (distance) C4'-P energy: -67.230
bonds (distance) P-C4' energy: -73.233
flat angles C4'-P-C4' energy: -72.920
flat angles P-C4'-P energy: -50.415
tors. eta vs tors. theta energy: -78.489
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: 7
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1018.388093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.388093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.388093 (E_RNA)
where:
Base-Base interactions energy: -682.665
where: short stacking energy: -302.249
Base-Backbone interact. energy: -3.260
local terms energy: -332.462341
where:
bonds (distance) C4'-P energy: -61.677
bonds (distance) P-C4' energy: -64.033
flat angles C4'-P-C4' energy: -70.594
flat angles P-C4'-P energy: -45.386
tors. eta vs tors. theta energy: -90.773
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: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -958.266170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.266170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.266170 (E_RNA)
where:
Base-Base interactions energy: -626.939
where: short stacking energy: -293.230
Base-Backbone interact. energy: 0.093
local terms energy: -331.419833
where:
bonds (distance) C4'-P energy: -61.687
bonds (distance) P-C4' energy: -70.911
flat angles C4'-P-C4' energy: -70.275
flat angles P-C4'-P energy: -47.529
tors. eta vs tors. theta energy: -81.017
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: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -886.906484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.906484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.906484 (E_RNA)
where:
Base-Base interactions energy: -581.686
where: short stacking energy: -252.946
Base-Backbone interact. energy: 1.081
local terms energy: -306.300929
where:
bonds (distance) C4'-P energy: -65.854
bonds (distance) P-C4' energy: -59.718
flat angles C4'-P-C4' energy: -66.764
flat angles P-C4'-P energy: -42.581
tors. eta vs tors. theta energy: -71.384
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: 9
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -759.424305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.424305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.424305 (E_RNA)
where:
Base-Base interactions energy: -484.402
where: short stacking energy: -214.037
Base-Backbone interact. energy: -2.013
local terms energy: -273.009141
where:
bonds (distance) C4'-P energy: -62.623
bonds (distance) P-C4' energy: -56.875
flat angles C4'-P-C4' energy: -55.414
flat angles P-C4'-P energy: -44.107
tors. eta vs tors. theta energy: -53.991
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: 4
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -743.178370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.178370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.178370 (E_RNA)
where:
Base-Base interactions energy: -455.709
where: short stacking energy: -203.383
Base-Backbone interact. energy: -2.613
local terms energy: -284.856531
where:
bonds (distance) C4'-P energy: -65.256
bonds (distance) P-C4' energy: -73.561
flat angles C4'-P-C4' energy: -54.784
flat angles P-C4'-P energy: -44.811
tors. eta vs tors. theta energy: -46.444
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: 3
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -546.089522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.089522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.089522 (E_RNA)
where:
Base-Base interactions energy: -319.276
where: short stacking energy: -147.733
Base-Backbone interact. energy: -0.928
local terms energy: -227.169717
where:
bonds (distance) C4'-P energy: -56.948
bonds (distance) P-C4' energy: -65.215
flat angles C4'-P-C4' energy: -57.176
flat angles P-C4'-P energy: -35.100
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.284 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -544.427429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.427429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.427429 (E_RNA)
where:
Base-Base interactions energy: -315.178
where: short stacking energy: -155.061
Base-Backbone interact. energy: 0.528
local terms energy: -229.777307
where:
bonds (distance) C4'-P energy: -54.746
bonds (distance) P-C4' energy: -58.664
flat angles C4'-P-C4' energy: -56.958
flat angles P-C4'-P energy: -31.515
tors. eta vs tors. theta energy: -27.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -297.577611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.577611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.577611 (E_RNA)
where:
Base-Base interactions energy: -121.923
where: short stacking energy: -89.744
Base-Backbone interact. energy: -2.115
local terms energy: -173.540122
where:
bonds (distance) C4'-P energy: -50.312
bonds (distance) P-C4' energy: -45.506
flat angles C4'-P-C4' energy: -49.760
flat angles P-C4'-P energy: -38.031
tors. eta vs tors. theta energy: 10.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -336.504011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.504011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.504011 (E_RNA)
where:
Base-Base interactions energy: -172.819
where: short stacking energy: -98.097
Base-Backbone interact. energy: -0.344
local terms energy: -163.340985
where:
bonds (distance) C4'-P energy: -43.502
bonds (distance) P-C4' energy: -51.733
flat angles C4'-P-C4' energy: -43.080
flat angles P-C4'-P energy: -23.008
tors. eta vs tors. theta energy: -2.018
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: 1, replica: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1035.693426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.693426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.693426 (E_RNA)
where:
Base-Base interactions energy: -712.384
where: short stacking energy: -303.860
Base-Backbone interact. energy: -2.876
local terms energy: -320.433860
where:
bonds (distance) C4'-P energy: -63.736
bonds (distance) P-C4' energy: -59.852
flat angles C4'-P-C4' energy: -66.927
flat angles P-C4'-P energy: -46.228
tors. eta vs tors. theta energy: -83.691
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: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1024.879617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.879617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.879617 (E_RNA)
where:
Base-Base interactions energy: -701.417
where: short stacking energy: -325.655
Base-Backbone interact. energy: -1.576
local terms energy: -321.887104
where:
bonds (distance) C4'-P energy: -58.158
bonds (distance) P-C4' energy: -67.195
flat angles C4'-P-C4' energy: -65.012
flat angles P-C4'-P energy: -48.314
tors. eta vs tors. theta energy: -83.209
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: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -967.211153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.211153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.211153 (E_RNA)
where:
Base-Base interactions energy: -635.313
where: short stacking energy: -277.756
Base-Backbone interact. energy: -1.008
local terms energy: -330.890332
where:
bonds (distance) C4'-P energy: -59.379
bonds (distance) P-C4' energy: -72.177
flat angles C4'-P-C4' energy: -67.228
flat angles P-C4'-P energy: -44.937
tors. eta vs tors. theta energy: -87.170
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: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -877.513182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.513182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.513182 (E_RNA)
where:
Base-Base interactions energy: -596.061
where: short stacking energy: -272.200
Base-Backbone interact. energy: 3.289
local terms energy: -284.741958
where:
bonds (distance) C4'-P energy: -50.624
bonds (distance) P-C4' energy: -59.073
flat angles C4'-P-C4' energy: -65.650
flat angles P-C4'-P energy: -38.272
tors. eta vs tors. theta energy: -71.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -821.472508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.472508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.472508 (E_RNA)
where:
Base-Base interactions energy: -550.901
where: short stacking energy: -228.854
Base-Backbone interact. energy: -0.561
local terms energy: -270.010856
where:
bonds (distance) C4'-P energy: -54.957
bonds (distance) P-C4' energy: -59.553
flat angles C4'-P-C4' energy: -64.832
flat angles P-C4'-P energy: -35.412
tors. eta vs tors. theta energy: -55.257
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: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -722.623003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.623003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.623003 (E_RNA)
where:
Base-Base interactions energy: -468.963
where: short stacking energy: -221.785
Base-Backbone interact. energy: 0.340
local terms energy: -253.999397
where:
bonds (distance) C4'-P energy: -48.171
bonds (distance) P-C4' energy: -48.596
flat angles C4'-P-C4' energy: -49.437
flat angles P-C4'-P energy: -54.495
tors. eta vs tors. theta energy: -53.301
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: 7, replica: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -554.871015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.871015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.871015 (E_RNA)
where:
Base-Base interactions energy: -327.971
where: short stacking energy: -179.343
Base-Backbone interact. energy: 2.678
local terms energy: -229.634356
where:
bonds (distance) C4'-P energy: -50.538
bonds (distance) P-C4' energy: -44.307
flat angles C4'-P-C4' energy: -57.116
flat angles P-C4'-P energy: -43.614
tors. eta vs tors. theta energy: -34.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.056 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -500.670439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.670439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.670439 (E_RNA)
where:
Base-Base interactions energy: -293.803
where: short stacking energy: -127.602
Base-Backbone interact. energy: -0.771
local terms energy: -206.096202
where:
bonds (distance) C4'-P energy: -53.263
bonds (distance) P-C4' energy: -50.518
flat angles C4'-P-C4' energy: -52.617
flat angles P-C4'-P energy: -34.590
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -374.231631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.231631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.231631 (E_RNA)
where:
Base-Base interactions energy: -186.666
where: short stacking energy: -111.057
Base-Backbone interact. energy: 1.284
local terms energy: -188.850193
where:
bonds (distance) C4'-P energy: -54.490
bonds (distance) P-C4' energy: -61.826
flat angles C4'-P-C4' energy: -38.969
flat angles P-C4'-P energy: -23.211
tors. eta vs tors. theta energy: -10.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -300.828960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.828960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.828960 (E_RNA)
where:
Base-Base interactions energy: -129.438
where: short stacking energy: -95.135
Base-Backbone interact. energy: 1.870
local terms energy: -173.261176
where:
bonds (distance) C4'-P energy: -35.656
bonds (distance) P-C4' energy: -57.873
flat angles C4'-P-C4' energy: -58.750
flat angles P-C4'-P energy: -27.652
tors. eta vs tors. theta energy: 6.670
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: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1021.003822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.003822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.003822 (E_RNA)
where:
Base-Base interactions energy: -702.339
where: short stacking energy: -284.967
Base-Backbone interact. energy: -2.496
local terms energy: -316.168500
where:
bonds (distance) C4'-P energy: -60.626
bonds (distance) P-C4' energy: -61.879
flat angles C4'-P-C4' energy: -68.453
flat angles P-C4'-P energy: -53.084
tors. eta vs tors. theta energy: -72.126
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: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1021.537659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.537659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.537659 (E_RNA)
where:
Base-Base interactions energy: -703.104
where: short stacking energy: -313.234
Base-Backbone interact. energy: -1.473
local terms energy: -316.960629
where:
bonds (distance) C4'-P energy: -59.533
bonds (distance) P-C4' energy: -61.520
flat angles C4'-P-C4' energy: -70.220
flat angles P-C4'-P energy: -43.875
tors. eta vs tors. theta energy: -81.813
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: 10
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -970.229643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.229643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.229643 (E_RNA)
where:
Base-Base interactions energy: -641.017
where: short stacking energy: -297.771
Base-Backbone interact. energy: 1.420
local terms energy: -330.633003
where:
bonds (distance) C4'-P energy: -59.732
bonds (distance) P-C4' energy: -63.193
flat angles C4'-P-C4' energy: -65.211
flat angles P-C4'-P energy: -53.634
tors. eta vs tors. theta energy: -88.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -867.001994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.001994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.001994 (E_RNA)
where:
Base-Base interactions energy: -570.215
where: short stacking energy: -255.767
Base-Backbone interact. energy: 1.287
local terms energy: -298.074107
where:
bonds (distance) C4'-P energy: -60.926
bonds (distance) P-C4' energy: -60.482
flat angles C4'-P-C4' energy: -63.357
flat angles P-C4'-P energy: -38.785
tors. eta vs tors. theta energy: -74.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -856.801830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.801830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.801830 (E_RNA)
where:
Base-Base interactions energy: -574.786
where: short stacking energy: -257.570
Base-Backbone interact. energy: -1.622
local terms energy: -280.393309
where:
bonds (distance) C4'-P energy: -64.101
bonds (distance) P-C4' energy: -60.809
flat angles C4'-P-C4' energy: -56.928
flat angles P-C4'-P energy: -34.782
tors. eta vs tors. theta energy: -63.773
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: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -716.749831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.749831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.749831 (E_RNA)
where:
Base-Base interactions energy: -449.044
where: short stacking energy: -218.274
Base-Backbone interact. energy: -1.434
local terms energy: -266.272455
where:
bonds (distance) C4'-P energy: -50.681
bonds (distance) P-C4' energy: -61.254
flat angles C4'-P-C4' energy: -61.263
flat angles P-C4'-P energy: -41.137
tors. eta vs tors. theta energy: -51.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -573.641870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.641870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.641870 (E_RNA)
where:
Base-Base interactions energy: -342.085
where: short stacking energy: -175.517
Base-Backbone interact. energy: -0.934
local terms energy: -230.623157
where:
bonds (distance) C4'-P energy: -55.011
bonds (distance) P-C4' energy: -58.424
flat angles C4'-P-C4' energy: -60.142
flat angles P-C4'-P energy: -23.244
tors. eta vs tors. theta energy: -33.802
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: 8, replica: 6
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -481.678497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.678497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.678497 (E_RNA)
where:
Base-Base interactions energy: -254.690
where: short stacking energy: -133.743
Base-Backbone interact. energy: 0.461
local terms energy: -227.449461
where:
bonds (distance) C4'-P energy: -52.307
bonds (distance) P-C4' energy: -61.478
flat angles C4'-P-C4' energy: -61.916
flat angles P-C4'-P energy: -29.326
tors. eta vs tors. theta energy: -22.423
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: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -317.918060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.918060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.918060 (E_RNA)
where:
Base-Base interactions energy: -120.104
where: short stacking energy: -102.872
Base-Backbone interact. energy: -0.186
local terms energy: -197.627423
where:
bonds (distance) C4'-P energy: -60.356
bonds (distance) P-C4' energy: -48.109
flat angles C4'-P-C4' energy: -50.062
flat angles P-C4'-P energy: -33.327
tors. eta vs tors. theta energy: -5.774
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: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -284.333389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.333389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.333389 (E_RNA)
where:
Base-Base interactions energy: -111.251
where: short stacking energy: -77.403
Base-Backbone interact. energy: -0.746
local terms energy: -172.336675
where:
bonds (distance) C4'-P energy: -52.975
bonds (distance) P-C4' energy: -46.284
flat angles C4'-P-C4' energy: -52.843
flat angles P-C4'-P energy: -28.460
tors. eta vs tors. theta energy: 8.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1040.370497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.370497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.370497 (E_RNA)
where:
Base-Base interactions energy: -701.945
where: short stacking energy: -327.076
Base-Backbone interact. energy: -1.264
local terms energy: -337.161827
where:
bonds (distance) C4'-P energy: -70.709
bonds (distance) P-C4' energy: -65.499
flat angles C4'-P-C4' energy: -69.547
flat angles P-C4'-P energy: -41.368
tors. eta vs tors. theta energy: -90.039
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: 2, replica: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1017.774181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.774181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.774181 (E_RNA)
where:
Base-Base interactions energy: -678.319
where: short stacking energy: -283.181
Base-Backbone interact. energy: -3.714
local terms energy: -335.740421
where:
bonds (distance) C4'-P energy: -56.693
bonds (distance) P-C4' energy: -67.669
flat angles C4'-P-C4' energy: -77.230
flat angles P-C4'-P energy: -46.218
tors. eta vs tors. theta energy: -87.931
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: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -936.238824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.238824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.238824 (E_RNA)
where:
Base-Base interactions energy: -624.916
where: short stacking energy: -288.075
Base-Backbone interact. energy: 2.446
local terms energy: -313.768819
where:
bonds (distance) C4'-P energy: -51.970
bonds (distance) P-C4' energy: -63.577
flat angles C4'-P-C4' energy: -71.204
flat angles P-C4'-P energy: -49.089
tors. eta vs tors. theta energy: -77.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -898.473880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.473880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.473880 (E_RNA)
where:
Base-Base interactions energy: -589.065
where: short stacking energy: -272.263
Base-Backbone interact. energy: -0.741
local terms energy: -308.667476
where:
bonds (distance) C4'-P energy: -66.958
bonds (distance) P-C4' energy: -66.132
flat angles C4'-P-C4' energy: -67.144
flat angles P-C4'-P energy: -39.681
tors. eta vs tors. theta energy: -68.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -844.700342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.700342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.700342 (E_RNA)
where:
Base-Base interactions energy: -554.571
where: short stacking energy: -262.665
Base-Backbone interact. energy: 0.577
local terms energy: -290.706525
where:
bonds (distance) C4'-P energy: -57.752
bonds (distance) P-C4' energy: -54.848
flat angles C4'-P-C4' energy: -63.701
flat angles P-C4'-P energy: -40.719
tors. eta vs tors. theta energy: -73.686
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: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -716.517639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.517639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.517639 (E_RNA)
where:
Base-Base interactions energy: -450.096
where: short stacking energy: -213.849
Base-Backbone interact. energy: 2.481
local terms energy: -268.903594
where:
bonds (distance) C4'-P energy: -59.642
bonds (distance) P-C4' energy: -61.615
flat angles C4'-P-C4' energy: -51.530
flat angles P-C4'-P energy: -43.674
tors. eta vs tors. theta energy: -52.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -556.093784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.093784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.093784 (E_RNA)
where:
Base-Base interactions energy: -332.337
where: short stacking energy: -171.296
Base-Backbone interact. energy: 2.140
local terms energy: -225.896194
where:
bonds (distance) C4'-P energy: -47.466
bonds (distance) P-C4' energy: -54.660
flat angles C4'-P-C4' energy: -57.008
flat angles P-C4'-P energy: -36.346
tors. eta vs tors. theta energy: -30.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -477.658784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.658784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.658784 (E_RNA)
where:
Base-Base interactions energy: -252.772
where: short stacking energy: -145.640
Base-Backbone interact. energy: -1.760
local terms energy: -223.126746
where:
bonds (distance) C4'-P energy: -43.712
bonds (distance) P-C4' energy: -67.346
flat angles C4'-P-C4' energy: -53.905
flat angles P-C4'-P energy: -31.195
tors. eta vs tors. theta energy: -26.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -331.468660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.468660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.468660 (E_RNA)
where:
Base-Base interactions energy: -134.114
where: short stacking energy: -86.119
Base-Backbone interact. energy: -1.753
local terms energy: -195.601261
where:
bonds (distance) C4'-P energy: -50.462
bonds (distance) P-C4' energy: -55.144
flat angles C4'-P-C4' energy: -49.276
flat angles P-C4'-P energy: -33.929
tors. eta vs tors. theta energy: -6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -284.144415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.144415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.144415 (E_RNA)
where:
Base-Base interactions energy: -103.375
where: short stacking energy: -85.315
Base-Backbone interact. energy: 0.227
local terms energy: -180.996790
where:
bonds (distance) C4'-P energy: -61.086
bonds (distance) P-C4' energy: -41.504
flat angles C4'-P-C4' energy: -41.817
flat angles P-C4'-P energy: -35.268
tors. eta vs tors. theta energy: -1.321
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: 8
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1052.731562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.731562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.731562 (E_RNA)
where:
Base-Base interactions energy: -735.583
where: short stacking energy: -323.350
Base-Backbone interact. energy: -2.639
local terms energy: -314.509258
where:
bonds (distance) C4'-P energy: -61.916
bonds (distance) P-C4' energy: -59.489
flat angles C4'-P-C4' energy: -69.844
flat angles P-C4'-P energy: -41.946
tors. eta vs tors. theta energy: -81.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1024.802189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.802189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.802189 (E_RNA)
where:
Base-Base interactions energy: -709.033
where: short stacking energy: -310.376
Base-Backbone interact. energy: -3.106
local terms energy: -312.663520
where:
bonds (distance) C4'-P energy: -63.497
bonds (distance) P-C4' energy: -57.633
flat angles C4'-P-C4' energy: -61.057
flat angles P-C4'-P energy: -41.912
tors. eta vs tors. theta energy: -88.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -978.803358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.803358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.803358 (E_RNA)
where:
Base-Base interactions energy: -667.340
where: short stacking energy: -306.362
Base-Backbone interact. energy: -1.555
local terms energy: -309.908665
where:
bonds (distance) C4'-P energy: -46.740
bonds (distance) P-C4' energy: -57.512
flat angles C4'-P-C4' energy: -64.298
flat angles P-C4'-P energy: -47.237
tors. eta vs tors. theta energy: -94.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -909.337104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.337104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.337104 (E_RNA)
where:
Base-Base interactions energy: -594.641
where: short stacking energy: -275.199
Base-Backbone interact. energy: -1.425
local terms energy: -313.271317
where:
bonds (distance) C4'-P energy: -55.664
bonds (distance) P-C4' energy: -62.070
flat angles C4'-P-C4' energy: -70.335
flat angles P-C4'-P energy: -47.732
tors. eta vs tors. theta energy: -77.470
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: 4
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -872.121874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.121874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.121874 (E_RNA)
where:
Base-Base interactions energy: -570.986
where: short stacking energy: -248.035
Base-Backbone interact. energy: -1.223
local terms energy: -299.912829
where:
bonds (distance) C4'-P energy: -49.837
bonds (distance) P-C4' energy: -68.185
flat angles C4'-P-C4' energy: -65.541
flat angles P-C4'-P energy: -40.217
tors. eta vs tors. theta energy: -76.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -726.128392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.128392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.128392 (E_RNA)
where:
Base-Base interactions energy: -463.415
where: short stacking energy: -217.295
Base-Backbone interact. energy: -0.739
local terms energy: -261.974342
where:
bonds (distance) C4'-P energy: -60.147
bonds (distance) P-C4' energy: -59.386
flat angles C4'-P-C4' energy: -61.000
flat angles P-C4'-P energy: -40.799
tors. eta vs tors. theta energy: -40.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -646.875199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.875199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.875199 (E_RNA)
where:
Base-Base interactions energy: -408.373
where: short stacking energy: -195.568
Base-Backbone interact. energy: 0.172
local terms energy: -239.176530
where:
bonds (distance) C4'-P energy: -58.274
bonds (distance) P-C4' energy: -55.383
flat angles C4'-P-C4' energy: -56.798
flat angles P-C4'-P energy: -26.538
tors. eta vs tors. theta energy: -42.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.502 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -475.834866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.834866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.834866 (E_RNA)
where:
Base-Base interactions energy: -243.499
where: short stacking energy: -146.334
Base-Backbone interact. energy: -0.764
local terms energy: -231.571624
where:
bonds (distance) C4'-P energy: -48.839
bonds (distance) P-C4' energy: -58.194
flat angles C4'-P-C4' energy: -58.327
flat angles P-C4'-P energy: -36.156
tors. eta vs tors. theta energy: -30.056
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: 141
Temperature: 1.300000
Total energy: -346.011107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.011107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.011107 (E_RNA)
where:
Base-Base interactions energy: -155.509
where: short stacking energy: -106.514
Base-Backbone interact. energy: -0.177
local terms energy: -190.325290
where:
bonds (distance) C4'-P energy: -56.848
bonds (distance) P-C4' energy: -58.291
flat angles C4'-P-C4' energy: -39.784
flat angles P-C4'-P energy: -33.113
tors. eta vs tors. theta energy: -2.289
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: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -269.449931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.449931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.449931 (E_RNA)
where:
Base-Base interactions energy: -95.815
where: short stacking energy: -93.950
Base-Backbone interact. energy: -1.000
local terms energy: -172.634772
where:
bonds (distance) C4'-P energy: -46.706
bonds (distance) P-C4' energy: -46.074
flat angles C4'-P-C4' energy: -31.298
flat angles P-C4'-P energy: -37.554
tors. eta vs tors. theta energy: -11.003
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: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1042.663327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.663327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.663327 (E_RNA)
where:
Base-Base interactions energy: -708.119
where: short stacking energy: -302.649
Base-Backbone interact. energy: -2.799
local terms energy: -331.744954
where:
bonds (distance) C4'-P energy: -63.717
bonds (distance) P-C4' energy: -69.015
flat angles C4'-P-C4' energy: -74.145
flat angles P-C4'-P energy: -44.231
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: 2, replica: 7
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1042.829692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.829692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.829692 (E_RNA)
where:
Base-Base interactions energy: -712.959
where: short stacking energy: -304.306
Base-Backbone interact. energy: -3.012
local terms energy: -326.859431
where:
bonds (distance) C4'-P energy: -52.973
bonds (distance) P-C4' energy: -68.365
flat angles C4'-P-C4' energy: -77.097
flat angles P-C4'-P energy: -42.631
tors. eta vs tors. theta energy: -85.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -969.533417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.533417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.533417 (E_RNA)
where:
Base-Base interactions energy: -651.544
where: short stacking energy: -283.525
Base-Backbone interact. energy: -0.607
local terms energy: -317.382127
where:
bonds (distance) C4'-P energy: -62.863
bonds (distance) P-C4' energy: -66.000
flat angles C4'-P-C4' energy: -59.820
flat angles P-C4'-P energy: -43.596
tors. eta vs tors. theta energy: -85.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -949.365408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.365408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.365408 (E_RNA)
where:
Base-Base interactions energy: -616.397
where: short stacking energy: -271.603
Base-Backbone interact. energy: -2.240
local terms energy: -330.728865
where:
bonds (distance) C4'-P energy: -67.430
bonds (distance) P-C4' energy: -71.732
flat angles C4'-P-C4' energy: -67.615
flat angles P-C4'-P energy: -44.737
tors. eta vs tors. theta energy: -79.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -871.189304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.189304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.189304 (E_RNA)
where:
Base-Base interactions energy: -570.424
where: short stacking energy: -254.824
Base-Backbone interact. energy: -1.710
local terms energy: -299.055376
where:
bonds (distance) C4'-P energy: -51.957
bonds (distance) P-C4' energy: -62.552
flat angles C4'-P-C4' energy: -66.199
flat angles P-C4'-P energy: -45.275
tors. eta vs tors. theta energy: -73.073
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: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -740.564427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.564427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.564427 (E_RNA)
where:
Base-Base interactions energy: -460.821
where: short stacking energy: -218.293
Base-Backbone interact. energy: -0.730
local terms energy: -279.013560
where:
bonds (distance) C4'-P energy: -58.581
bonds (distance) P-C4' energy: -61.654
flat angles C4'-P-C4' energy: -63.216
flat angles P-C4'-P energy: -40.675
tors. eta vs tors. theta energy: -54.887
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: 142
Temperature: 1.200000
Total energy: -655.001770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.001770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.001770 (E_RNA)
where:
Base-Base interactions energy: -416.950
where: short stacking energy: -202.575
Base-Backbone interact. energy: 0.717
local terms energy: -238.768613
where:
bonds (distance) C4'-P energy: -46.046
bonds (distance) P-C4' energy: -58.717
flat angles C4'-P-C4' energy: -51.482
flat angles P-C4'-P energy: -40.919
tors. eta vs tors. theta energy: -41.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -457.977285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.977285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.977285 (E_RNA)
where:
Base-Base interactions energy: -238.515
where: short stacking energy: -125.226
Base-Backbone interact. energy: -0.794
local terms energy: -218.668047
where:
bonds (distance) C4'-P energy: -44.165
bonds (distance) P-C4' energy: -62.136
flat angles C4'-P-C4' energy: -61.399
flat angles P-C4'-P energy: -26.203
tors. eta vs tors. theta energy: -24.764
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: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -345.380812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.380812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.380812 (E_RNA)
where:
Base-Base interactions energy: -168.899
where: short stacking energy: -102.332
Base-Backbone interact. energy: -1.357
local terms energy: -175.124614
where:
bonds (distance) C4'-P energy: -54.636
bonds (distance) P-C4' energy: -53.163
flat angles C4'-P-C4' energy: -48.427
flat angles P-C4'-P energy: -25.164
tors. eta vs tors. theta energy: 6.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -255.587760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.587760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.587760 (E_RNA)
where:
Base-Base interactions energy: -91.577
where: short stacking energy: -75.883
Base-Backbone interact. energy: -0.962
local terms energy: -163.048886
where:
bonds (distance) C4'-P energy: -59.534
bonds (distance) P-C4' energy: -45.922
flat angles C4'-P-C4' energy: -43.038
flat angles P-C4'-P energy: -19.314
tors. eta vs tors. theta energy: 4.760
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: 1, replica: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1029.558204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.558204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.558204 (E_RNA)
where:
Base-Base interactions energy: -690.892
where: short stacking energy: -308.393
Base-Backbone interact. energy: -2.034
local terms energy: -336.632569
where:
bonds (distance) C4'-P energy: -64.498
bonds (distance) P-C4' energy: -69.336
flat angles C4'-P-C4' energy: -75.210
flat angles P-C4'-P energy: -43.042
tors. eta vs tors. theta energy: -84.546
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: 2, replica: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1019.050169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.050169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.050169 (E_RNA)
where:
Base-Base interactions energy: -693.068
where: short stacking energy: -288.112
Base-Backbone interact. energy: -2.726
local terms energy: -323.767972
where:
bonds (distance) C4'-P energy: -60.590
bonds (distance) P-C4' energy: -63.069
flat angles C4'-P-C4' energy: -74.387
flat angles P-C4'-P energy: -42.245
tors. eta vs tors. theta energy: -83.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.511 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -941.353207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.353207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.353207 (E_RNA)
where:
Base-Base interactions energy: -622.609
where: short stacking energy: -287.012
Base-Backbone interact. energy: 1.109
local terms energy: -319.853559
where:
bonds (distance) C4'-P energy: -55.922
bonds (distance) P-C4' energy: -58.872
flat angles C4'-P-C4' energy: -68.416
flat angles P-C4'-P energy: -42.990
tors. eta vs tors. theta energy: -93.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -939.341507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.341507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.341507 (E_RNA)
where:
Base-Base interactions energy: -622.529
where: short stacking energy: -302.973
Base-Backbone interact. energy: -1.901
local terms energy: -315.500349
where:
bonds (distance) C4'-P energy: -41.867
bonds (distance) P-C4' energy: -68.351
flat angles C4'-P-C4' energy: -70.392
flat angles P-C4'-P energy: -43.343
tors. eta vs tors. theta energy: -91.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.589 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -882.989510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.989510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.989510 (E_RNA)
where:
Base-Base interactions energy: -589.388
where: short stacking energy: -282.515
Base-Backbone interact. energy: -0.884
local terms energy: -292.716702
where:
bonds (distance) C4'-P energy: -48.695
bonds (distance) P-C4' energy: -59.281
flat angles C4'-P-C4' energy: -62.907
flat angles P-C4'-P energy: -46.561
tors. eta vs tors. theta energy: -75.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -687.219196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.219196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.219196 (E_RNA)
where:
Base-Base interactions energy: -427.760
where: short stacking energy: -200.931
Base-Backbone interact. energy: -1.031
local terms energy: -258.428667
where:
bonds (distance) C4'-P energy: -43.074
bonds (distance) P-C4' energy: -61.376
flat angles C4'-P-C4' energy: -55.009
flat angles P-C4'-P energy: -51.884
tors. eta vs tors. theta energy: -47.085
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: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -725.335717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.335717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.335717 (E_RNA)
where:
Base-Base interactions energy: -467.547
where: short stacking energy: -216.408
Base-Backbone interact. energy: -1.907
local terms energy: -255.881571
where:
bonds (distance) C4'-P energy: -51.651
bonds (distance) P-C4' energy: -60.419
flat angles C4'-P-C4' energy: -58.781
flat angles P-C4'-P energy: -39.322
tors. eta vs tors. theta energy: -45.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -448.074415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.074415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.074415 (E_RNA)
where:
Base-Base interactions energy: -244.614
where: short stacking energy: -121.745
Base-Backbone interact. energy: -1.837
local terms energy: -201.622926
where:
bonds (distance) C4'-P energy: -53.846
bonds (distance) P-C4' energy: -62.303
flat angles C4'-P-C4' energy: -46.172
flat angles P-C4'-P energy: -33.842
tors. eta vs tors. theta energy: -5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -333.700417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.700417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.700417 (E_RNA)
where:
Base-Base interactions energy: -160.539
where: short stacking energy: -113.564
Base-Backbone interact. energy: -1.477
local terms energy: -171.684738
where:
bonds (distance) C4'-P energy: -47.524
bonds (distance) P-C4' energy: -47.797
flat angles C4'-P-C4' energy: -43.596
flat angles P-C4'-P energy: -22.941
tors. eta vs tors. theta energy: -9.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -279.748694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.748694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.748694 (E_RNA)
where:
Base-Base interactions energy: -93.065
where: short stacking energy: -68.868
Base-Backbone interact. energy: 0.290
local terms energy: -186.973989
where:
bonds (distance) C4'-P energy: -55.186
bonds (distance) P-C4' energy: -59.393
flat angles C4'-P-C4' energy: -48.464
flat angles P-C4'-P energy: -28.298
tors. eta vs tors. theta energy: 4.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1024.282043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.282043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.282043 (E_RNA)
where:
Base-Base interactions energy: -689.921
where: short stacking energy: -285.510
Base-Backbone interact. energy: -1.183
local terms energy: -333.177951
where:
bonds (distance) C4'-P energy: -67.251
bonds (distance) P-C4' energy: -69.764
flat angles C4'-P-C4' energy: -70.223
flat angles P-C4'-P energy: -41.736
tors. eta vs tors. theta energy: -84.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -999.412786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.412786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.412786 (E_RNA)
where:
Base-Base interactions energy: -667.288
where: short stacking energy: -298.179
Base-Backbone interact. energy: -1.147
local terms energy: -330.977335
where:
bonds (distance) C4'-P energy: -68.395
bonds (distance) P-C4' energy: -67.955
flat angles C4'-P-C4' energy: -76.321
flat angles P-C4'-P energy: -43.056
tors. eta vs tors. theta energy: -75.249
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: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -978.525441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.525441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.525441 (E_RNA)
where:
Base-Base interactions energy: -646.329
where: short stacking energy: -286.975
Base-Backbone interact. energy: -1.968
local terms energy: -330.521346
where:
bonds (distance) C4'-P energy: -63.254
bonds (distance) P-C4' energy: -54.859
flat angles C4'-P-C4' energy: -71.501
flat angles P-C4'-P energy: -52.041
tors. eta vs tors. theta energy: -88.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.293 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -890.083313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.083313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.083313 (E_RNA)
where:
Base-Base interactions energy: -580.417
where: short stacking energy: -273.506
Base-Backbone interact. energy: -0.820
local terms energy: -308.845963
where:
bonds (distance) C4'-P energy: -55.888
bonds (distance) P-C4' energy: -68.561
flat angles C4'-P-C4' energy: -72.866
flat angles P-C4'-P energy: -32.573
tors. eta vs tors. theta energy: -78.958
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: 4
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -853.473017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.473017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.473017 (E_RNA)
where:
Base-Base interactions energy: -567.468
where: short stacking energy: -251.422
Base-Backbone interact. energy: -1.434
local terms energy: -284.570972
where:
bonds (distance) C4'-P energy: -53.259
bonds (distance) P-C4' energy: -66.195
flat angles C4'-P-C4' energy: -65.675
flat angles P-C4'-P energy: -38.380
tors. eta vs tors. theta energy: -61.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -681.388335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.388335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.388335 (E_RNA)
where:
Base-Base interactions energy: -430.708
where: short stacking energy: -222.532
Base-Backbone interact. energy: -0.179
local terms energy: -250.500660
where:
bonds (distance) C4'-P energy: -47.536
bonds (distance) P-C4' energy: -52.121
flat angles C4'-P-C4' energy: -66.592
flat angles P-C4'-P energy: -37.072
tors. eta vs tors. theta energy: -47.179
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: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -682.973759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.973759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.973759 (E_RNA)
where:
Base-Base interactions energy: -426.942
where: short stacking energy: -206.938
Base-Backbone interact. energy: -1.955
local terms energy: -254.076703
where:
bonds (distance) C4'-P energy: -57.183
bonds (distance) P-C4' energy: -59.300
flat angles C4'-P-C4' energy: -50.325
flat angles P-C4'-P energy: -37.476
tors. eta vs tors. theta energy: -49.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -454.432718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.432718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.432718 (E_RNA)
where:
Base-Base interactions energy: -246.869
where: short stacking energy: -129.633
Base-Backbone interact. energy: -0.324
local terms energy: -207.239552
where:
bonds (distance) C4'-P energy: -49.606
bonds (distance) P-C4' energy: -59.191
flat angles C4'-P-C4' energy: -57.974
flat angles P-C4'-P energy: -34.945
tors. eta vs tors. theta energy: -5.523
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: 144
Temperature: 1.300000
Total energy: -305.266179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.266179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.266179 (E_RNA)
where:
Base-Base interactions energy: -125.066
where: short stacking energy: -77.071
Base-Backbone interact. energy: -1.669
local terms energy: -178.530662
where:
bonds (distance) C4'-P energy: -56.566
bonds (distance) P-C4' energy: -54.861
flat angles C4'-P-C4' energy: -46.556
flat angles P-C4'-P energy: -32.912
tors. eta vs tors. theta energy: 12.363
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: 5
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -271.348088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.348088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.348088 (E_RNA)
where:
Base-Base interactions energy: -90.556
where: short stacking energy: -90.601
Base-Backbone interact. energy: 0.949
local terms energy: -181.740358
where:
bonds (distance) C4'-P energy: -67.214
bonds (distance) P-C4' energy: -50.209
flat angles C4'-P-C4' energy: -39.358
flat angles P-C4'-P energy: -23.856
tors. eta vs tors. theta energy: -1.103
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: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1041.187415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.187415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.187415 (E_RNA)
where:
Base-Base interactions energy: -726.767
where: short stacking energy: -294.704
Base-Backbone interact. energy: -2.031
local terms energy: -312.389338
where:
bonds (distance) C4'-P energy: -58.767
bonds (distance) P-C4' energy: -64.555
flat angles C4'-P-C4' energy: -63.381
flat angles P-C4'-P energy: -46.633
tors. eta vs tors. theta energy: -79.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1010.189082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.189082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.189082 (E_RNA)
where:
Base-Base interactions energy: -673.161
where: short stacking energy: -285.098
Base-Backbone interact. energy: -3.193
local terms energy: -333.835930
where:
bonds (distance) C4'-P energy: -69.474
bonds (distance) P-C4' energy: -71.981
flat angles C4'-P-C4' energy: -68.807
flat angles P-C4'-P energy: -46.928
tors. eta vs tors. theta energy: -76.645
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: 3, replica: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -936.973660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.973660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.973660 (E_RNA)
where:
Base-Base interactions energy: -636.649
where: short stacking energy: -284.088
Base-Backbone interact. energy: -0.660
local terms energy: -299.818744
where:
bonds (distance) C4'-P energy: -43.387
bonds (distance) P-C4' energy: -64.922
flat angles C4'-P-C4' energy: -64.697
flat angles P-C4'-P energy: -47.351
tors. eta vs tors. theta energy: -79.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.154 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -960.093573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.093573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.093573 (E_RNA)
where:
Base-Base interactions energy: -642.445
where: short stacking energy: -295.444
Base-Backbone interact. energy: -0.332
local terms energy: -317.316746
where:
bonds (distance) C4'-P energy: -61.670
bonds (distance) P-C4' energy: -61.505
flat angles C4'-P-C4' energy: -70.431
flat angles P-C4'-P energy: -32.683
tors. eta vs tors. theta energy: -91.027
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: 5, replica: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -856.516496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.516496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.516496 (E_RNA)
where:
Base-Base interactions energy: -554.621
where: short stacking energy: -260.428
Base-Backbone interact. energy: 0.211
local terms energy: -302.106483
where:
bonds (distance) C4'-P energy: -54.097
bonds (distance) P-C4' energy: -69.842
flat angles C4'-P-C4' energy: -64.942
flat angles P-C4'-P energy: -42.716
tors. eta vs tors. theta energy: -70.509
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: 3
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -704.418948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.418948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.418948 (E_RNA)
where:
Base-Base interactions energy: -453.910
where: short stacking energy: -213.876
Base-Backbone interact. energy: 0.266
local terms energy: -250.775236
where:
bonds (distance) C4'-P energy: -53.481
bonds (distance) P-C4' energy: -52.403
flat angles C4'-P-C4' energy: -58.789
flat angles P-C4'-P energy: -39.730
tors. eta vs tors. theta energy: -46.374
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: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -668.617105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.617105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.617105 (E_RNA)
where:
Base-Base interactions energy: -413.023
where: short stacking energy: -212.511
Base-Backbone interact. energy: 0.067
local terms energy: -255.660594
where:
bonds (distance) C4'-P energy: -55.833
bonds (distance) P-C4' energy: -60.532
flat angles C4'-P-C4' energy: -56.143
flat angles P-C4'-P energy: -39.972
tors. eta vs tors. theta energy: -43.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -507.507666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.507666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.507666 (E_RNA)
where:
Base-Base interactions energy: -284.575
where: short stacking energy: -151.835
Base-Backbone interact. energy: 0.876
local terms energy: -223.808170
where:
bonds (distance) C4'-P energy: -55.219
bonds (distance) P-C4' energy: -68.383
flat angles C4'-P-C4' energy: -48.073
flat angles P-C4'-P energy: -33.366
tors. eta vs tors. theta energy: -18.767
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: 145
Temperature: 1.300000
Total energy: -265.946902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.946902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.946902 (E_RNA)
where:
Base-Base interactions energy: -101.910
where: short stacking energy: -96.582
Base-Backbone interact. energy: 0.076
local terms energy: -164.113534
where:
bonds (distance) C4'-P energy: -46.066
bonds (distance) P-C4' energy: -59.332
flat angles C4'-P-C4' energy: -41.158
flat angles P-C4'-P energy: -27.708
tors. eta vs tors. theta energy: 10.150
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: 5
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -298.535178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.535178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.535178 (E_RNA)
where:
Base-Base interactions energy: -131.481
where: short stacking energy: -91.022
Base-Backbone interact. energy: 1.986
local terms energy: -169.040415
where:
bonds (distance) C4'-P energy: -49.813
bonds (distance) P-C4' energy: -49.935
flat angles C4'-P-C4' energy: -49.994
flat angles P-C4'-P energy: -22.547
tors. eta vs tors. theta energy: 3.248
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: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1038.579013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.579013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.579013 (E_RNA)
where:
Base-Base interactions energy: -703.519
where: short stacking energy: -305.961
Base-Backbone interact. energy: 2.231
local terms energy: -337.291095
where:
bonds (distance) C4'-P energy: -72.136
bonds (distance) P-C4' energy: -71.892
flat angles C4'-P-C4' energy: -64.193
flat angles P-C4'-P energy: -46.217
tors. eta vs tors. theta energy: -82.853
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: 146
Temperature: 0.950000
Total energy: -1052.103568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.103568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.103568 (E_RNA)
where:
Base-Base interactions energy: -721.204
where: short stacking energy: -307.951
Base-Backbone interact. energy: -3.354
local terms energy: -327.546192
where:
bonds (distance) C4'-P energy: -67.554
bonds (distance) P-C4' energy: -55.426
flat angles C4'-P-C4' energy: -71.742
flat angles P-C4'-P energy: -48.002
tors. eta vs tors. theta energy: -84.822
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: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -971.123737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.123737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.123737 (E_RNA)
where:
Base-Base interactions energy: -629.710
where: short stacking energy: -286.247
Base-Backbone interact. energy: -1.210
local terms energy: -340.203786
where:
bonds (distance) C4'-P energy: -60.591
bonds (distance) P-C4' energy: -72.910
flat angles C4'-P-C4' energy: -75.441
flat angles P-C4'-P energy: -46.826
tors. eta vs tors. theta energy: -84.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -926.937018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.937018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.937018 (E_RNA)
where:
Base-Base interactions energy: -595.535
where: short stacking energy: -286.141
Base-Backbone interact. energy: -1.253
local terms energy: -330.148784
where:
bonds (distance) C4'-P energy: -65.070
bonds (distance) P-C4' energy: -65.811
flat angles C4'-P-C4' energy: -69.518
flat angles P-C4'-P energy: -43.512
tors. eta vs tors. theta energy: -86.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -900.909656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.909656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.909656 (E_RNA)
where:
Base-Base interactions energy: -596.952
where: short stacking energy: -271.970
Base-Backbone interact. energy: 2.464
local terms energy: -311.237260
where:
bonds (distance) C4'-P energy: -54.957
bonds (distance) P-C4' energy: -62.715
flat angles C4'-P-C4' energy: -71.377
flat angles P-C4'-P energy: -43.798
tors. eta vs tors. theta energy: -78.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 4.815 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -714.943387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.943387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.943387 (E_RNA)
where:
Base-Base interactions energy: -456.846
where: short stacking energy: -210.756
Base-Backbone interact. energy: -1.529
local terms energy: -256.568403
where:
bonds (distance) C4'-P energy: -60.962
bonds (distance) P-C4' energy: -42.397
flat angles C4'-P-C4' energy: -62.657
flat angles P-C4'-P energy: -39.143
tors. eta vs tors. theta energy: -51.409
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: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -662.968287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.968287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.968287 (E_RNA)
where:
Base-Base interactions energy: -423.609
where: short stacking energy: -200.085
Base-Backbone interact. energy: -1.004
local terms energy: -238.355514
where:
bonds (distance) C4'-P energy: -55.841
bonds (distance) P-C4' energy: -57.364
flat angles C4'-P-C4' energy: -55.325
flat angles P-C4'-P energy: -36.631
tors. eta vs tors. theta energy: -33.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -509.876645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.876645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.876645 (E_RNA)
where:
Base-Base interactions energy: -280.324
where: short stacking energy: -154.228
Base-Backbone interact. energy: -1.018
local terms energy: -228.534435
where:
bonds (distance) C4'-P energy: -51.507
bonds (distance) P-C4' energy: -50.146
flat angles C4'-P-C4' energy: -58.813
flat angles P-C4'-P energy: -33.617
tors. eta vs tors. theta energy: -34.451
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: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -361.497664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.497664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.497664 (E_RNA)
where:
Base-Base interactions energy: -168.920
where: short stacking energy: -106.136
Base-Backbone interact. energy: 1.839
local terms energy: -194.417152
where:
bonds (distance) C4'-P energy: -51.495
bonds (distance) P-C4' energy: -53.223
flat angles C4'-P-C4' energy: -43.315
flat angles P-C4'-P energy: -33.702
tors. eta vs tors. theta energy: -12.682
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: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -278.350010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.350010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.350010 (E_RNA)
where:
Base-Base interactions energy: -112.933
where: short stacking energy: -75.648
Base-Backbone interact. energy: 0.073
local terms energy: -165.489644
where:
bonds (distance) C4'-P energy: -40.675
bonds (distance) P-C4' energy: -59.640
flat angles C4'-P-C4' energy: -50.597
flat angles P-C4'-P energy: -32.759
tors. eta vs tors. theta energy: 18.182
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: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1030.007123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.007123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.007123 (E_RNA)
where:
Base-Base interactions energy: -709.300
where: short stacking energy: -305.256
Base-Backbone interact. energy: -1.751
local terms energy: -319.327588
where:
bonds (distance) C4'-P energy: -63.285
bonds (distance) P-C4' energy: -55.767
flat angles C4'-P-C4' energy: -69.441
flat angles P-C4'-P energy: -50.123
tors. eta vs tors. theta energy: -80.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.371 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1048.753392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.753392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.753392 (E_RNA)
where:
Base-Base interactions energy: -709.768
where: short stacking energy: -292.938
Base-Backbone interact. energy: -2.913
local terms energy: -336.072077
where:
bonds (distance) C4'-P energy: -67.859
bonds (distance) P-C4' energy: -66.198
flat angles C4'-P-C4' energy: -75.175
flat angles P-C4'-P energy: -48.950
tors. eta vs tors. theta energy: -77.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -951.765539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.765539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.765539 (E_RNA)
where:
Base-Base interactions energy: -646.079
where: short stacking energy: -277.316
Base-Backbone interact. energy: -0.792
local terms energy: -304.895112
where:
bonds (distance) C4'-P energy: -52.580
bonds (distance) P-C4' energy: -52.479
flat angles C4'-P-C4' energy: -70.981
flat angles P-C4'-P energy: -48.052
tors. eta vs tors. theta energy: -80.803
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: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -894.675335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.675335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.675335 (E_RNA)
where:
Base-Base interactions energy: -595.126
where: short stacking energy: -272.168
Base-Backbone interact. energy: -1.605
local terms energy: -297.944094
where:
bonds (distance) C4'-P energy: -48.845
bonds (distance) P-C4' energy: -58.640
flat angles C4'-P-C4' energy: -67.742
flat angles P-C4'-P energy: -48.916
tors. eta vs tors. theta energy: -73.801
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: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -917.684995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.684995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.684995 (E_RNA)
where:
Base-Base interactions energy: -596.236
where: short stacking energy: -267.006
Base-Backbone interact. energy: -1.180
local terms energy: -320.268923
where:
bonds (distance) C4'-P energy: -60.541
bonds (distance) P-C4' energy: -59.518
flat angles C4'-P-C4' energy: -73.671
flat angles P-C4'-P energy: -43.220
tors. eta vs tors. theta energy: -83.319
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: 6, replica: 3
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -727.830759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.830759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.830759 (E_RNA)
where:
Base-Base interactions energy: -487.000
where: short stacking energy: -201.648
Base-Backbone interact. energy: -1.483
local terms energy: -239.347769
where:
bonds (distance) C4'-P energy: -51.789
bonds (distance) P-C4' energy: -63.581
flat angles C4'-P-C4' energy: -47.117
flat angles P-C4'-P energy: -32.041
tors. eta vs tors. theta energy: -44.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -646.668020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.668020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.668020 (E_RNA)
where:
Base-Base interactions energy: -376.845
where: short stacking energy: -175.168
Base-Backbone interact. energy: -2.570
local terms energy: -267.253965
where:
bonds (distance) C4'-P energy: -59.322
bonds (distance) P-C4' energy: -55.268
flat angles C4'-P-C4' energy: -64.627
flat angles P-C4'-P energy: -49.284
tors. eta vs tors. theta energy: -38.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -466.762059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.762059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.762059 (E_RNA)
where:
Base-Base interactions energy: -241.921
where: short stacking energy: -131.903
Base-Backbone interact. energy: -2.903
local terms energy: -221.938079
where:
bonds (distance) C4'-P energy: -42.531
bonds (distance) P-C4' energy: -67.480
flat angles C4'-P-C4' energy: -49.121
flat angles P-C4'-P energy: -33.931
tors. eta vs tors. theta energy: -28.874
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: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -278.452323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.452323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.452323 (E_RNA)
where:
Base-Base interactions energy: -102.481
where: short stacking energy: -94.391
Base-Backbone interact. energy: -2.559
local terms energy: -173.412441
where:
bonds (distance) C4'-P energy: -26.826
bonds (distance) P-C4' energy: -55.231
flat angles C4'-P-C4' energy: -58.763
flat angles P-C4'-P energy: -36.132
tors. eta vs tors. theta energy: 3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -294.762800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.762800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.762800 (E_RNA)
where:
Base-Base interactions energy: -115.034
where: short stacking energy: -77.793
Base-Backbone interact. energy: -1.466
local terms energy: -178.262738
where:
bonds (distance) C4'-P energy: -47.697
bonds (distance) P-C4' energy: -52.138
flat angles C4'-P-C4' energy: -50.188
flat angles P-C4'-P energy: -37.563
tors. eta vs tors. theta energy: 9.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1061.570603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.570603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.570603 (E_RNA)
where:
Base-Base interactions energy: -723.441
where: short stacking energy: -314.236
Base-Backbone interact. energy: -0.642
local terms energy: -337.487058
where:
bonds (distance) C4'-P energy: -48.148
bonds (distance) P-C4' energy: -75.677
flat angles C4'-P-C4' energy: -80.644
flat angles P-C4'-P energy: -49.313
tors. eta vs tors. theta energy: -83.705
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: 2, replica: 7
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1015.095372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.095372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.095372 (E_RNA)
where:
Base-Base interactions energy: -678.820
where: short stacking energy: -293.897
Base-Backbone interact. energy: -1.831
local terms energy: -334.497891
where:
bonds (distance) C4'-P energy: -57.692
bonds (distance) P-C4' energy: -79.373
flat angles C4'-P-C4' energy: -64.528
flat angles P-C4'-P energy: -48.164
tors. eta vs tors. theta energy: -84.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.054 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -939.933660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.933660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.933660 (E_RNA)
where:
Base-Base interactions energy: -642.480
where: short stacking energy: -248.752
Base-Backbone interact. energy: -0.692
local terms energy: -296.761886
where:
bonds (distance) C4'-P energy: -51.205
bonds (distance) P-C4' energy: -69.391
flat angles C4'-P-C4' energy: -64.473
flat angles P-C4'-P energy: -40.545
tors. eta vs tors. theta energy: -71.148
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: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -976.131927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.131927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.131927 (E_RNA)
where:
Base-Base interactions energy: -633.848
where: short stacking energy: -300.753
Base-Backbone interact. energy: -1.482
local terms energy: -340.801947
where:
bonds (distance) C4'-P energy: -58.969
bonds (distance) P-C4' energy: -70.033
flat angles C4'-P-C4' energy: -68.193
flat angles P-C4'-P energy: -52.821
tors. eta vs tors. theta energy: -90.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -908.485466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.485466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.485466 (E_RNA)
where:
Base-Base interactions energy: -597.396
where: short stacking energy: -263.386
Base-Backbone interact. energy: 0.460
local terms energy: -311.549332
where:
bonds (distance) C4'-P energy: -65.073
bonds (distance) P-C4' energy: -61.266
flat angles C4'-P-C4' energy: -75.307
flat angles P-C4'-P energy: -36.939
tors. eta vs tors. theta energy: -72.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -696.401896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.401896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.401896 (E_RNA)
where:
Base-Base interactions energy: -446.856
where: short stacking energy: -199.110
Base-Backbone interact. energy: -1.068
local terms energy: -248.477471
where:
bonds (distance) C4'-P energy: -65.667
bonds (distance) P-C4' energy: -49.047
flat angles C4'-P-C4' energy: -57.572
flat angles P-C4'-P energy: -30.306
tors. eta vs tors. theta energy: -45.885
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: 7, replica: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -649.765282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.765282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.765282 (E_RNA)
where:
Base-Base interactions energy: -415.514
where: short stacking energy: -182.351
Base-Backbone interact. energy: -1.063
local terms energy: -233.188376
where:
bonds (distance) C4'-P energy: -55.911
bonds (distance) P-C4' energy: -55.051
flat angles C4'-P-C4' energy: -52.262
flat angles P-C4'-P energy: -37.177
tors. eta vs tors. theta energy: -32.787
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: 8, replica: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -484.420993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.420993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.420993 (E_RNA)
where:
Base-Base interactions energy: -264.190
where: short stacking energy: -134.971
Base-Backbone interact. energy: 0.625
local terms energy: -220.856661
where:
bonds (distance) C4'-P energy: -52.724
bonds (distance) P-C4' energy: -60.797
flat angles C4'-P-C4' energy: -56.421
flat angles P-C4'-P energy: -37.028
tors. eta vs tors. theta energy: -13.887
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: 5
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -311.860377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.860377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.860377 (E_RNA)
where:
Base-Base interactions energy: -111.097
where: short stacking energy: -81.879
Base-Backbone interact. energy: 1.035
local terms energy: -201.797931
where:
bonds (distance) C4'-P energy: -59.056
bonds (distance) P-C4' energy: -46.902
flat angles C4'-P-C4' energy: -63.175
flat angles P-C4'-P energy: -34.342
tors. eta vs tors. theta energy: 1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -322.657770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.657770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.657770 (E_RNA)
where:
Base-Base interactions energy: -153.814
where: short stacking energy: -89.335
Base-Backbone interact. energy: -0.664
local terms energy: -168.179062
where:
bonds (distance) C4'-P energy: -49.343
bonds (distance) P-C4' energy: -57.036
flat angles C4'-P-C4' energy: -50.723
flat angles P-C4'-P energy: -27.058
tors. eta vs tors. theta energy: 15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1059.409410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.409410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.409410 (E_RNA)
where:
Base-Base interactions energy: -741.881
where: short stacking energy: -291.533
Base-Backbone interact. energy: -1.485
local terms energy: -316.043528
where:
bonds (distance) C4'-P energy: -63.783
bonds (distance) P-C4' energy: -65.644
flat angles C4'-P-C4' energy: -70.874
flat angles P-C4'-P energy: -36.337
tors. eta vs tors. theta energy: -79.405
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: 2, replica: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1007.928592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.928592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.928592 (E_RNA)
where:
Base-Base interactions energy: -677.461
where: short stacking energy: -283.417
Base-Backbone interact. energy: -2.343
local terms energy: -328.162481
where:
bonds (distance) C4'-P energy: -71.170
bonds (distance) P-C4' energy: -59.509
flat angles C4'-P-C4' energy: -69.943
flat angles P-C4'-P energy: -53.406
tors. eta vs tors. theta energy: -74.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.037 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -931.231023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.231023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.231023 (E_RNA)
where:
Base-Base interactions energy: -650.838
where: short stacking energy: -264.342
Base-Backbone interact. energy: -1.198
local terms energy: -279.195055
where:
bonds (distance) C4'-P energy: -52.910
bonds (distance) P-C4' energy: -50.793
flat angles C4'-P-C4' energy: -67.099
flat angles P-C4'-P energy: -39.751
tors. eta vs tors. theta energy: -68.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -948.895128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.895128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.895128 (E_RNA)
where:
Base-Base interactions energy: -646.280
where: short stacking energy: -271.700
Base-Backbone interact. energy: -1.577
local terms energy: -301.037801
where:
bonds (distance) C4'-P energy: -64.117
bonds (distance) P-C4' energy: -58.630
flat angles C4'-P-C4' energy: -63.255
flat angles P-C4'-P energy: -43.970
tors. eta vs tors. theta energy: -71.067
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: 5, replica: 4
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -869.173892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.173892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.173892 (E_RNA)
where:
Base-Base interactions energy: -592.407
where: short stacking energy: -263.793
Base-Backbone interact. energy: -0.276
local terms energy: -276.490442
where:
bonds (distance) C4'-P energy: -34.080
bonds (distance) P-C4' energy: -67.729
flat angles C4'-P-C4' energy: -56.630
flat angles P-C4'-P energy: -47.417
tors. eta vs tors. theta energy: -70.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -707.579047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.579047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.579047 (E_RNA)
where:
Base-Base interactions energy: -449.076
where: short stacking energy: -200.570
Base-Backbone interact. energy: -0.103
local terms energy: -258.399587
where:
bonds (distance) C4'-P energy: -55.962
bonds (distance) P-C4' energy: -56.124
flat angles C4'-P-C4' energy: -56.895
flat angles P-C4'-P energy: -34.964
tors. eta vs tors. theta energy: -54.455
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: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -714.365303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.365303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.365303 (E_RNA)
where:
Base-Base interactions energy: -433.419
where: short stacking energy: -185.526
Base-Backbone interact. energy: -1.037
local terms energy: -279.909712
where:
bonds (distance) C4'-P energy: -64.203
bonds (distance) P-C4' energy: -67.390
flat angles C4'-P-C4' energy: -59.058
flat angles P-C4'-P energy: -43.518
tors. eta vs tors. theta energy: -45.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -474.737550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.737550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.737550 (E_RNA)
where:
Base-Base interactions energy: -273.332
where: short stacking energy: -140.469
Base-Backbone interact. energy: 0.760
local terms energy: -202.165543
where:
bonds (distance) C4'-P energy: -57.375
bonds (distance) P-C4' energy: -51.481
flat angles C4'-P-C4' energy: -46.998
flat angles P-C4'-P energy: -22.663
tors. eta vs tors. theta energy: -23.648
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: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -330.765505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.765505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.765505 (E_RNA)
where:
Base-Base interactions energy: -160.194
where: short stacking energy: -109.685
Base-Backbone interact. energy: -1.653
local terms energy: -168.932659
where:
bonds (distance) C4'-P energy: -38.307
bonds (distance) P-C4' energy: -46.805
flat angles C4'-P-C4' energy: -53.644
flat angles P-C4'-P energy: -26.365
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.014 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -311.585981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.585981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.585981 (E_RNA)
where:
Base-Base interactions energy: -132.445
where: short stacking energy: -81.851
Base-Backbone interact. energy: 0.415
local terms energy: -179.572025
where:
bonds (distance) C4'-P energy: -62.276
bonds (distance) P-C4' energy: -51.660
flat angles C4'-P-C4' energy: -46.337
flat angles P-C4'-P energy: -29.466
tors. eta vs tors. theta energy: 10.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.017 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1066.914087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.914087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.914087 (E_RNA)
where:
Base-Base interactions energy: -746.439
where: short stacking energy: -301.356
Base-Backbone interact. energy: -2.455
local terms energy: -318.020559
where:
bonds (distance) C4'-P energy: -61.973
bonds (distance) P-C4' energy: -61.878
flat angles C4'-P-C4' energy: -69.374
flat angles P-C4'-P energy: -47.830
tors. eta vs tors. theta energy: -76.966
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: 7
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -999.038283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.038283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.038283 (E_RNA)
where:
Base-Base interactions energy: -673.706
where: short stacking energy: -301.818
Base-Backbone interact. energy: -1.919
local terms energy: -323.413743
where:
bonds (distance) C4'-P energy: -55.592
bonds (distance) P-C4' energy: -66.632
flat angles C4'-P-C4' energy: -69.836
flat angles P-C4'-P energy: -46.855
tors. eta vs tors. theta energy: -84.499
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: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -936.991081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.991081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.991081 (E_RNA)
where:
Base-Base interactions energy: -621.028
where: short stacking energy: -258.985
Base-Backbone interact. energy: -1.394
local terms energy: -314.568755
where:
bonds (distance) C4'-P energy: -62.536
bonds (distance) P-C4' energy: -60.882
flat angles C4'-P-C4' energy: -70.550
flat angles P-C4'-P energy: -43.800
tors. eta vs tors. theta energy: -76.801
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: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -933.574729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.574729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.574729 (E_RNA)
where:
Base-Base interactions energy: -612.821
where: short stacking energy: -296.408
Base-Backbone interact. energy: -0.601
local terms energy: -320.152227
where:
bonds (distance) C4'-P energy: -61.140
bonds (distance) P-C4' energy: -54.722
flat angles C4'-P-C4' energy: -71.557
flat angles P-C4'-P energy: -45.617
tors. eta vs tors. theta energy: -87.116
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: 150
Temperature: 1.100000
Total energy: -869.290878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.290878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.290878 (E_RNA)
where:
Base-Base interactions energy: -579.531
where: short stacking energy: -243.063
Base-Backbone interact. energy: -1.479
local terms energy: -288.281410
where:
bonds (distance) C4'-P energy: -67.470
bonds (distance) P-C4' energy: -59.793
flat angles C4'-P-C4' energy: -56.443
flat angles P-C4'-P energy: -44.564
tors. eta vs tors. theta energy: -60.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -670.868320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.868320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.868320 (E_RNA)
where:
Base-Base interactions energy: -425.791
where: short stacking energy: -176.953
Base-Backbone interact. energy: -0.047
local terms energy: -247.120645
where:
bonds (distance) C4'-P energy: -49.141
bonds (distance) P-C4' energy: -59.745
flat angles C4'-P-C4' energy: -64.543
flat angles P-C4'-P energy: -43.465
tors. eta vs tors. theta energy: -30.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.091 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -702.270928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.270928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.270928 (E_RNA)
where:
Base-Base interactions energy: -456.731
where: short stacking energy: -196.634
Base-Backbone interact. energy: 2.781
local terms energy: -248.321341
where:
bonds (distance) C4'-P energy: -42.767
bonds (distance) P-C4' energy: -54.058
flat angles C4'-P-C4' energy: -59.144
flat angles P-C4'-P energy: -43.021
tors. eta vs tors. theta energy: -49.331
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: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -450.477234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.477234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.477234 (E_RNA)
where:
Base-Base interactions energy: -229.693
where: short stacking energy: -131.911
Base-Backbone interact. energy: -0.034
local terms energy: -220.750854
where:
bonds (distance) C4'-P energy: -51.885
bonds (distance) P-C4' energy: -55.951
flat angles C4'-P-C4' energy: -56.412
flat angles P-C4'-P energy: -34.097
tors. eta vs tors. theta energy: -22.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -330.024778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.024778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.024778 (E_RNA)
where:
Base-Base interactions energy: -138.192
where: short stacking energy: -99.888
Base-Backbone interact. energy: 0.340
local terms energy: -192.172466
where:
bonds (distance) C4'-P energy: -68.509
bonds (distance) P-C4' energy: -58.443
flat angles C4'-P-C4' energy: -38.856
flat angles P-C4'-P energy: -27.671
tors. eta vs tors. theta energy: 1.307
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: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -273.298522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.298522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.298522 (E_RNA)
where:
Base-Base interactions energy: -81.277
where: short stacking energy: -78.289
Base-Backbone interact. energy: 1.527
local terms energy: -193.549259
where:
bonds (distance) C4'-P energy: -54.642
bonds (distance) P-C4' energy: -59.938
flat angles C4'-P-C4' energy: -50.844
flat angles P-C4'-P energy: -37.217
tors. eta vs tors. theta energy: 9.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1031.649601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.649601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.649601 (E_RNA)
where:
Base-Base interactions energy: -705.256
where: short stacking energy: -297.811
Base-Backbone interact. energy: -4.469
local terms energy: -321.924980
where:
bonds (distance) C4'-P energy: -57.596
bonds (distance) P-C4' energy: -66.742
flat angles C4'-P-C4' energy: -70.450
flat angles P-C4'-P energy: -50.144
tors. eta vs tors. theta energy: -76.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -999.129773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.129773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.129773 (E_RNA)
where:
Base-Base interactions energy: -680.069
where: short stacking energy: -287.102
Base-Backbone interact. energy: -0.516
local terms energy: -318.545017
where:
bonds (distance) C4'-P energy: -68.072
bonds (distance) P-C4' energy: -64.279
flat angles C4'-P-C4' energy: -63.061
flat angles P-C4'-P energy: -47.953
tors. eta vs tors. theta energy: -75.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -945.017775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.017775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.017775 (E_RNA)
where:
Base-Base interactions energy: -647.441
where: short stacking energy: -261.772
Base-Backbone interact. energy: -2.371
local terms energy: -295.205590
where:
bonds (distance) C4'-P energy: -49.854
bonds (distance) P-C4' energy: -64.929
flat angles C4'-P-C4' energy: -58.297
flat angles P-C4'-P energy: -46.464
tors. eta vs tors. theta energy: -75.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -914.987817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.987817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.987817 (E_RNA)
where:
Base-Base interactions energy: -619.148
where: short stacking energy: -262.802
Base-Backbone interact. energy: 1.583
local terms energy: -297.422201
where:
bonds (distance) C4'-P energy: -59.366
bonds (distance) P-C4' energy: -59.446
flat angles C4'-P-C4' energy: -66.237
flat angles P-C4'-P energy: -43.791
tors. eta vs tors. theta energy: -68.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -872.992268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.992268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.992268 (E_RNA)
where:
Base-Base interactions energy: -556.684
where: short stacking energy: -249.576
Base-Backbone interact. energy: 0.066
local terms energy: -316.374369
where:
bonds (distance) C4'-P energy: -60.742
bonds (distance) P-C4' energy: -61.468
flat angles C4'-P-C4' energy: -69.740
flat angles P-C4'-P energy: -50.434
tors. eta vs tors. theta energy: -73.991
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: 9
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -743.494347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.494347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.494347 (E_RNA)
where:
Base-Base interactions energy: -473.804
where: short stacking energy: -224.484
Base-Backbone interact. energy: -1.048
local terms energy: -268.642555
where:
bonds (distance) C4'-P energy: -53.584
bonds (distance) P-C4' energy: -61.577
flat angles C4'-P-C4' energy: -53.054
flat angles P-C4'-P energy: -42.070
tors. eta vs tors. theta energy: -58.358
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: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -676.762663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.762663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.762663 (E_RNA)
where:
Base-Base interactions energy: -408.159
where: short stacking energy: -180.027
Base-Backbone interact. energy: -0.358
local terms energy: -268.245338
where:
bonds (distance) C4'-P energy: -51.687
bonds (distance) P-C4' energy: -66.056
flat angles C4'-P-C4' energy: -67.035
flat angles P-C4'-P energy: -42.815
tors. eta vs tors. theta energy: -40.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -476.336162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.336162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.336162 (E_RNA)
where:
Base-Base interactions energy: -259.266
where: short stacking energy: -130.255
Base-Backbone interact. energy: -0.769
local terms energy: -216.301351
where:
bonds (distance) C4'-P energy: -51.149
bonds (distance) P-C4' energy: -56.398
flat angles C4'-P-C4' energy: -59.493
flat angles P-C4'-P energy: -39.138
tors. eta vs tors. theta energy: -10.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -280.787354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.787354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.787354 (E_RNA)
where:
Base-Base interactions energy: -106.903
where: short stacking energy: -70.314
Base-Backbone interact. energy: 0.232
local terms energy: -174.115879
where:
bonds (distance) C4'-P energy: -65.855
bonds (distance) P-C4' energy: -51.139
flat angles C4'-P-C4' energy: -53.262
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: 15.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -253.896644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.896644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.896644 (E_RNA)
where:
Base-Base interactions energy: -111.779
where: short stacking energy: -88.513
Base-Backbone interact. energy: 0.823
local terms energy: -142.940128
where:
bonds (distance) C4'-P energy: -37.777
bonds (distance) P-C4' energy: -60.261
flat angles C4'-P-C4' energy: -29.341
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: 1.094
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: 1, replica: 8
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1035.617604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.617604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.617604 (E_RNA)
where:
Base-Base interactions energy: -699.207
where: short stacking energy: -300.893
Base-Backbone interact. energy: -2.441
local terms energy: -333.969585
where:
bonds (distance) C4'-P energy: -69.229
bonds (distance) P-C4' energy: -55.458
flat angles C4'-P-C4' energy: -67.874
flat angles P-C4'-P energy: -55.689
tors. eta vs tors. theta energy: -85.719
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: 2, replica: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1004.090039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.090039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.090039 (E_RNA)
where:
Base-Base interactions energy: -677.774
where: short stacking energy: -272.226
Base-Backbone interact. energy: 1.190
local terms energy: -327.506908
where:
bonds (distance) C4'-P energy: -69.580
bonds (distance) P-C4' energy: -64.518
flat angles C4'-P-C4' energy: -62.749
flat angles P-C4'-P energy: -50.332
tors. eta vs tors. theta energy: -80.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -951.918066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.918066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.918066 (E_RNA)
where:
Base-Base interactions energy: -635.952
where: short stacking energy: -264.721
Base-Backbone interact. energy: -0.110
local terms energy: -315.856285
where:
bonds (distance) C4'-P energy: -62.468
bonds (distance) P-C4' energy: -68.531
flat angles C4'-P-C4' energy: -66.905
flat angles P-C4'-P energy: -48.725
tors. eta vs tors. theta energy: -69.227
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: 4, replica: 10
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -906.569427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.569427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.569427 (E_RNA)
where:
Base-Base interactions energy: -599.624
where: short stacking energy: -262.118
Base-Backbone interact. energy: -1.104
local terms energy: -306.696270
where:
bonds (distance) C4'-P energy: -64.441
bonds (distance) P-C4' energy: -57.506
flat angles C4'-P-C4' energy: -62.611
flat angles P-C4'-P energy: -44.871
tors. eta vs tors. theta energy: -77.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.855 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -857.166252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.166252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.166252 (E_RNA)
where:
Base-Base interactions energy: -584.403
where: short stacking energy: -269.669
Base-Backbone interact. energy: -2.154
local terms energy: -270.609774
where:
bonds (distance) C4'-P energy: -47.262
bonds (distance) P-C4' energy: -60.502
flat angles C4'-P-C4' energy: -59.711
flat angles P-C4'-P energy: -33.748
tors. eta vs tors. theta energy: -69.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -723.602849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.602849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.602849 (E_RNA)
where:
Base-Base interactions energy: -457.989
where: short stacking energy: -220.346
Base-Backbone interact. energy: -1.097
local terms energy: -264.517206
where:
bonds (distance) C4'-P energy: -47.733
bonds (distance) P-C4' energy: -55.817
flat angles C4'-P-C4' energy: -64.030
flat angles P-C4'-P energy: -44.858
tors. eta vs tors. theta energy: -52.080
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: 7, replica: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -687.320349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.320349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.320349 (E_RNA)
where:
Base-Base interactions energy: -426.839
where: short stacking energy: -199.184
Base-Backbone interact. energy: -0.679
local terms energy: -259.802829
where:
bonds (distance) C4'-P energy: -52.638
bonds (distance) P-C4' energy: -55.971
flat angles C4'-P-C4' energy: -71.159
flat angles P-C4'-P energy: -34.055
tors. eta vs tors. theta energy: -45.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -451.307247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.307247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.307247 (E_RNA)
where:
Base-Base interactions energy: -246.231
where: short stacking energy: -129.597
Base-Backbone interact. energy: -0.735
local terms energy: -204.341265
where:
bonds (distance) C4'-P energy: -42.999
bonds (distance) P-C4' energy: -56.418
flat angles C4'-P-C4' energy: -58.098
flat angles P-C4'-P energy: -31.169
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -304.033384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.033384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.033384 (E_RNA)
where:
Base-Base interactions energy: -114.036
where: short stacking energy: -90.238
Base-Backbone interact. energy: -2.724
local terms energy: -187.274098
where:
bonds (distance) C4'-P energy: -42.220
bonds (distance) P-C4' energy: -70.125
flat angles C4'-P-C4' energy: -53.219
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: 2.731
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: 10, replica: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -271.771677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.771677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.771677 (E_RNA)
where:
Base-Base interactions energy: -94.887
where: short stacking energy: -85.373
Base-Backbone interact. energy: -0.624
local terms energy: -176.260786
where:
bonds (distance) C4'-P energy: -53.850
bonds (distance) P-C4' energy: -46.474
flat angles C4'-P-C4' energy: -45.556
flat angles P-C4'-P energy: -36.838
tors. eta vs tors. theta energy: 6.457
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: 8
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1052.268250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.268250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.268250 (E_RNA)
where:
Base-Base interactions energy: -706.344
where: short stacking energy: -283.814
Base-Backbone interact. energy: 6.893
local terms energy: -353.660636
where:
bonds (distance) C4'-P energy: -66.250
bonds (distance) P-C4' energy: -71.778
flat angles C4'-P-C4' energy: -76.063
flat angles P-C4'-P energy: -56.067
tors. eta vs tors. theta energy: -83.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.843 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1017.103639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.103639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.103639 (E_RNA)
where:
Base-Base interactions energy: -684.571
where: short stacking energy: -286.923
Base-Backbone interact. energy: -0.056
local terms energy: -332.476996
where:
bonds (distance) C4'-P energy: -59.347
bonds (distance) P-C4' energy: -62.719
flat angles C4'-P-C4' energy: -68.157
flat angles P-C4'-P energy: -49.716
tors. eta vs tors. theta energy: -92.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -969.306183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.306183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.306183 (E_RNA)
where:
Base-Base interactions energy: -630.469
where: short stacking energy: -278.456
Base-Backbone interact. energy: -3.172
local terms energy: -335.666168
where:
bonds (distance) C4'-P energy: -69.635
bonds (distance) P-C4' energy: -69.218
flat angles C4'-P-C4' energy: -75.047
flat angles P-C4'-P energy: -46.776
tors. eta vs tors. theta energy: -74.990
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: 153
Temperature: 1.050000
Total energy: -919.084573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.084573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.084573 (E_RNA)
where:
Base-Base interactions energy: -617.265
where: short stacking energy: -263.170
Base-Backbone interact. energy: -0.571
local terms energy: -301.249416
where:
bonds (distance) C4'-P energy: -58.639
bonds (distance) P-C4' energy: -49.640
flat angles C4'-P-C4' energy: -65.706
flat angles P-C4'-P energy: -46.755
tors. eta vs tors. theta energy: -80.509
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: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -849.022844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.022844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.022844 (E_RNA)
where:
Base-Base interactions energy: -544.106
where: short stacking energy: -250.948
Base-Backbone interact. energy: -0.229
local terms energy: -304.687601
where:
bonds (distance) C4'-P energy: -50.344
bonds (distance) P-C4' energy: -69.057
flat angles C4'-P-C4' energy: -70.419
flat angles P-C4'-P energy: -39.649
tors. eta vs tors. theta energy: -75.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -694.368077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.368077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.368077 (E_RNA)
where:
Base-Base interactions energy: -440.809
where: short stacking energy: -210.270
Base-Backbone interact. energy: -2.700
local terms energy: -250.858981
where:
bonds (distance) C4'-P energy: -47.659
bonds (distance) P-C4' energy: -50.313
flat angles C4'-P-C4' energy: -62.746
flat angles P-C4'-P energy: -41.861
tors. eta vs tors. theta energy: -48.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -611.094548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.094548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.094548 (E_RNA)
where:
Base-Base interactions energy: -365.626
where: short stacking energy: -153.495
Base-Backbone interact. energy: 0.477
local terms energy: -245.945298
where:
bonds (distance) C4'-P energy: -62.634
bonds (distance) P-C4' energy: -60.565
flat angles C4'-P-C4' energy: -49.223
flat angles P-C4'-P energy: -41.939
tors. eta vs tors. theta energy: -31.584
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: 153
Temperature: 1.250000
Total energy: -454.829880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.829880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.829880 (E_RNA)
where:
Base-Base interactions energy: -245.412
where: short stacking energy: -141.845
Base-Backbone interact. energy: -0.805
local terms energy: -208.612945
where:
bonds (distance) C4'-P energy: -36.191
bonds (distance) P-C4' energy: -58.687
flat angles C4'-P-C4' energy: -64.218
flat angles P-C4'-P energy: -29.321
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -315.246719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.246719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.246719 (E_RNA)
where:
Base-Base interactions energy: -156.787
where: short stacking energy: -107.505
Base-Backbone interact. energy: -1.693
local terms energy: -156.766520
where:
bonds (distance) C4'-P energy: -51.207
bonds (distance) P-C4' energy: -60.406
flat angles C4'-P-C4' energy: -31.670
flat angles P-C4'-P energy: -19.578
tors. eta vs tors. theta energy: 6.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -291.699126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.699126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.699126 (E_RNA)
where:
Base-Base interactions energy: -97.777
where: short stacking energy: -75.941
Base-Backbone interact. energy: 4.289
local terms energy: -198.211573
where:
bonds (distance) C4'-P energy: -50.785
bonds (distance) P-C4' energy: -63.120
flat angles C4'-P-C4' energy: -44.485
flat angles P-C4'-P energy: -45.868
tors. eta vs tors. theta energy: 6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1074.168718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.168718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.168718 (E_RNA)
where:
Base-Base interactions energy: -746.880
where: short stacking energy: -327.365
Base-Backbone interact. energy: -2.160
local terms energy: -325.128702
where:
bonds (distance) C4'-P energy: -67.896
bonds (distance) P-C4' energy: -65.615
flat angles C4'-P-C4' energy: -69.488
flat angles P-C4'-P energy: -38.195
tors. eta vs tors. theta energy: -83.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -997.471241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.471241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.471241 (E_RNA)
where:
Base-Base interactions energy: -674.610
where: short stacking energy: -286.663
Base-Backbone interact. energy: 0.685
local terms energy: -323.546302
where:
bonds (distance) C4'-P energy: -61.298
bonds (distance) P-C4' energy: -57.749
flat angles C4'-P-C4' energy: -74.659
flat angles P-C4'-P energy: -48.176
tors. eta vs tors. theta energy: -81.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -989.161113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.161113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.161113 (E_RNA)
where:
Base-Base interactions energy: -691.394
where: short stacking energy: -301.139
Base-Backbone interact. energy: -2.225
local terms energy: -295.541631
where:
bonds (distance) C4'-P energy: -55.794
bonds (distance) P-C4' energy: -54.568
flat angles C4'-P-C4' energy: -67.280
flat angles P-C4'-P energy: -38.594
tors. eta vs tors. theta energy: -79.305
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: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -912.497676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.497676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.497676 (E_RNA)
where:
Base-Base interactions energy: -619.162
where: short stacking energy: -261.825
Base-Backbone interact. energy: 3.277
local terms energy: -297.261163
where:
bonds (distance) C4'-P energy: -48.261
bonds (distance) P-C4' energy: -63.308
flat angles C4'-P-C4' energy: -67.515
flat angles P-C4'-P energy: -44.622
tors. eta vs tors. theta energy: -73.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.648 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -807.149737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.149737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.149737 (E_RNA)
where:
Base-Base interactions energy: -510.867
where: short stacking energy: -245.471
Base-Backbone interact. energy: -0.013
local terms energy: -296.269492
where:
bonds (distance) C4'-P energy: -52.947
bonds (distance) P-C4' energy: -64.922
flat angles C4'-P-C4' energy: -71.113
flat angles P-C4'-P energy: -45.260
tors. eta vs tors. theta energy: -62.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -721.694663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.694663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.694663 (E_RNA)
where:
Base-Base interactions energy: -464.272
where: short stacking energy: -202.978
Base-Backbone interact. energy: 2.377
local terms energy: -259.799280
where:
bonds (distance) C4'-P energy: -52.483
bonds (distance) P-C4' energy: -59.329
flat angles C4'-P-C4' energy: -58.948
flat angles P-C4'-P energy: -41.719
tors. eta vs tors. theta energy: -47.320
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: 3
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -605.835352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.835352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.835352 (E_RNA)
where:
Base-Base interactions energy: -347.562
where: short stacking energy: -149.147
Base-Backbone interact. energy: -3.528
local terms energy: -254.745365
where:
bonds (distance) C4'-P energy: -65.377
bonds (distance) P-C4' energy: -54.254
flat angles C4'-P-C4' energy: -56.939
flat angles P-C4'-P energy: -42.984
tors. eta vs tors. theta energy: -35.191
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: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -455.038459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.038459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.038459 (E_RNA)
where:
Base-Base interactions energy: -246.910
where: short stacking energy: -120.811
Base-Backbone interact. energy: 1.144
local terms energy: -209.272447
where:
bonds (distance) C4'-P energy: -50.960
bonds (distance) P-C4' energy: -54.842
flat angles C4'-P-C4' energy: -57.410
flat angles P-C4'-P energy: -36.844
tors. eta vs tors. theta energy: -9.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -288.404049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.404049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.404049 (E_RNA)
where:
Base-Base interactions energy: -88.896
where: short stacking energy: -79.279
Base-Backbone interact. energy: -0.918
local terms energy: -198.590699
where:
bonds (distance) C4'-P energy: -60.633
bonds (distance) P-C4' energy: -62.025
flat angles C4'-P-C4' energy: -42.887
flat angles P-C4'-P energy: -40.257
tors. eta vs tors. theta energy: 7.211
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: 5
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -277.214523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.214523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.214523 (E_RNA)
where:
Base-Base interactions energy: -88.875
where: short stacking energy: -72.863
Base-Backbone interact. energy: 1.245
local terms energy: -189.585476
where:
bonds (distance) C4'-P energy: -50.893
bonds (distance) P-C4' energy: -57.959
flat angles C4'-P-C4' energy: -58.048
flat angles P-C4'-P energy: -38.241
tors. eta vs tors. theta energy: 15.554
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: 8
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1035.349325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.349325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.349325 (E_RNA)
where:
Base-Base interactions energy: -713.543
where: short stacking energy: -310.612
Base-Backbone interact. energy: 1.241
local terms energy: -323.046765
where:
bonds (distance) C4'-P energy: -66.215
bonds (distance) P-C4' energy: -69.493
flat angles C4'-P-C4' energy: -66.232
flat angles P-C4'-P energy: -40.798
tors. eta vs tors. theta energy: -80.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -980.317645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.317645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.317645 (E_RNA)
where:
Base-Base interactions energy: -683.364
where: short stacking energy: -288.586
Base-Backbone interact. energy: -3.116
local terms energy: -293.837450
where:
bonds (distance) C4'-P energy: -54.425
bonds (distance) P-C4' energy: -67.021
flat angles C4'-P-C4' energy: -68.104
flat angles P-C4'-P energy: -34.327
tors. eta vs tors. theta energy: -69.961
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: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -965.579677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.579677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.579677 (E_RNA)
where:
Base-Base interactions energy: -643.268
where: short stacking energy: -263.950
Base-Backbone interact. energy: -1.070
local terms energy: -321.241747
where:
bonds (distance) C4'-P energy: -64.153
bonds (distance) P-C4' energy: -64.339
flat angles C4'-P-C4' energy: -68.384
flat angles P-C4'-P energy: -45.819
tors. eta vs tors. theta energy: -78.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -919.875283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.875283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.875283 (E_RNA)
where:
Base-Base interactions energy: -618.982
where: short stacking energy: -278.076
Base-Backbone interact. energy: -0.157
local terms energy: -300.736697
where:
bonds (distance) C4'-P energy: -48.403
bonds (distance) P-C4' energy: -68.243
flat angles C4'-P-C4' energy: -66.784
flat angles P-C4'-P energy: -49.181
tors. eta vs tors. theta energy: -68.126
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: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -794.030165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.030165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.030165 (E_RNA)
where:
Base-Base interactions energy: -513.548
where: short stacking energy: -238.195
Base-Backbone interact. energy: 0.216
local terms energy: -280.697969
where:
bonds (distance) C4'-P energy: -50.114
bonds (distance) P-C4' energy: -62.370
flat angles C4'-P-C4' energy: -60.209
flat angles P-C4'-P energy: -39.860
tors. eta vs tors. theta energy: -68.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -716.910232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.910232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.910232 (E_RNA)
where:
Base-Base interactions energy: -475.632
where: short stacking energy: -226.290
Base-Backbone interact. energy: -0.844
local terms energy: -240.433678
where:
bonds (distance) C4'-P energy: -55.463
bonds (distance) P-C4' energy: -61.456
flat angles C4'-P-C4' energy: -47.575
flat angles P-C4'-P energy: -32.930
tors. eta vs tors. theta energy: -43.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -583.662558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.662558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.662558 (E_RNA)
where:
Base-Base interactions energy: -343.451
where: short stacking energy: -174.454
Base-Backbone interact. energy: -1.820
local terms energy: -238.391516
where:
bonds (distance) C4'-P energy: -60.502
bonds (distance) P-C4' energy: -55.650
flat angles C4'-P-C4' energy: -51.926
flat angles P-C4'-P energy: -39.855
tors. eta vs tors. theta energy: -30.459
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: 155
Temperature: 1.250000
Total energy: -485.117359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.117359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.117359 (E_RNA)
where:
Base-Base interactions energy: -250.659
where: short stacking energy: -131.799
Base-Backbone interact. energy: -1.054
local terms energy: -233.403682
where:
bonds (distance) C4'-P energy: -55.020
bonds (distance) P-C4' energy: -58.068
flat angles C4'-P-C4' energy: -60.468
flat angles P-C4'-P energy: -43.081
tors. eta vs tors. theta energy: -16.767
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: 155
Temperature: 1.300000
Total energy: -297.251035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.251035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.251035 (E_RNA)
where:
Base-Base interactions energy: -115.493
where: short stacking energy: -112.451
Base-Backbone interact. energy: 0.751
local terms energy: -182.509369
where:
bonds (distance) C4'-P energy: -46.643
bonds (distance) P-C4' energy: -61.790
flat angles C4'-P-C4' energy: -42.143
flat angles P-C4'-P energy: -26.776
tors. eta vs tors. theta energy: -5.158
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: 10, replica: 5
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -276.587634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.587634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.587634 (E_RNA)
where:
Base-Base interactions energy: -88.111
where: short stacking energy: -53.846
Base-Backbone interact. energy: -1.273
local terms energy: -187.203572
where:
bonds (distance) C4'-P energy: -59.530
bonds (distance) P-C4' energy: -62.103
flat angles C4'-P-C4' energy: -49.128
flat angles P-C4'-P energy: -21.287
tors. eta vs tors. theta energy: 4.844
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: 8
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1065.608507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.608507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.608507 (E_RNA)
where:
Base-Base interactions energy: -743.814
where: short stacking energy: -296.953
Base-Backbone interact. energy: -0.548
local terms energy: -321.246976
where:
bonds (distance) C4'-P energy: -54.314
bonds (distance) P-C4' energy: -68.479
flat angles C4'-P-C4' energy: -73.552
flat angles P-C4'-P energy: -41.749
tors. eta vs tors. theta energy: -83.152
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: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -998.139729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.139729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.139729 (E_RNA)
where:
Base-Base interactions energy: -701.057
where: short stacking energy: -300.277
Base-Backbone interact. energy: -1.248
local terms energy: -295.833986
where:
bonds (distance) C4'-P energy: -48.507
bonds (distance) P-C4' energy: -58.874
flat angles C4'-P-C4' energy: -63.720
flat angles P-C4'-P energy: -44.730
tors. eta vs tors. theta energy: -80.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -968.416685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.416685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.416685 (E_RNA)
where:
Base-Base interactions energy: -655.515
where: short stacking energy: -271.526
Base-Backbone interact. energy: 0.320
local terms energy: -313.222024
where:
bonds (distance) C4'-P energy: -52.991
bonds (distance) P-C4' energy: -70.275
flat angles C4'-P-C4' energy: -66.851
flat angles P-C4'-P energy: -39.893
tors. eta vs tors. theta energy: -83.211
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: 10
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -909.368590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.368590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.368590 (E_RNA)
where:
Base-Base interactions energy: -619.189
where: short stacking energy: -274.920
Base-Backbone interact. energy: 0.062
local terms energy: -290.241172
where:
bonds (distance) C4'-P energy: -53.474
bonds (distance) P-C4' energy: -57.259
flat angles C4'-P-C4' energy: -69.574
flat angles P-C4'-P energy: -38.894
tors. eta vs tors. theta energy: -71.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -791.196006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.196006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.196006 (E_RNA)
where:
Base-Base interactions energy: -507.237
where: short stacking energy: -221.200
Base-Backbone interact. energy: -0.543
local terms energy: -283.416070
where:
bonds (distance) C4'-P energy: -56.127
bonds (distance) P-C4' energy: -68.687
flat angles C4'-P-C4' energy: -61.476
flat angles P-C4'-P energy: -41.068
tors. eta vs tors. theta energy: -56.058
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: 2
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -769.413691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.413691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.413691 (E_RNA)
where:
Base-Base interactions energy: -472.637
where: short stacking energy: -209.218
Base-Backbone interact. energy: -0.715
local terms energy: -296.061984
where:
bonds (distance) C4'-P energy: -55.631
bonds (distance) P-C4' energy: -70.610
flat angles C4'-P-C4' energy: -70.004
flat angles P-C4'-P energy: -38.525
tors. eta vs tors. theta energy: -61.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -601.235761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.235761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.235761 (E_RNA)
where:
Base-Base interactions energy: -357.298
where: short stacking energy: -175.304
Base-Backbone interact. energy: -1.064
local terms energy: -242.874548
where:
bonds (distance) C4'-P energy: -49.053
bonds (distance) P-C4' energy: -64.222
flat angles C4'-P-C4' energy: -51.681
flat angles P-C4'-P energy: -42.095
tors. eta vs tors. theta energy: -35.824
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: 6
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -471.590979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.590979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.590979 (E_RNA)
where:
Base-Base interactions energy: -263.892
where: short stacking energy: -131.694
Base-Backbone interact. energy: -1.375
local terms energy: -206.324156
where:
bonds (distance) C4'-P energy: -52.801
bonds (distance) P-C4' energy: -63.614
flat angles C4'-P-C4' energy: -54.689
flat angles P-C4'-P energy: -25.358
tors. eta vs tors. theta energy: -9.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -292.940702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.940702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.940702 (E_RNA)
where:
Base-Base interactions energy: -117.464
where: short stacking energy: -82.619
Base-Backbone interact. energy: 0.761
local terms energy: -176.237724
where:
bonds (distance) C4'-P energy: -62.156
bonds (distance) P-C4' energy: -50.848
flat angles C4'-P-C4' energy: -47.309
flat angles P-C4'-P energy: -30.996
tors. eta vs tors. theta energy: 15.071
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: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -280.740388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.740388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.740388 (E_RNA)
where:
Base-Base interactions energy: -91.805
where: short stacking energy: -64.542
Base-Backbone interact. energy: -0.889
local terms energy: -188.046547
where:
bonds (distance) C4'-P energy: -54.464
bonds (distance) P-C4' energy: -58.763
flat angles C4'-P-C4' energy: -51.143
flat angles P-C4'-P energy: -30.896
tors. eta vs tors. theta energy: 7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1063.269743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.269743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.269743 (E_RNA)
where:
Base-Base interactions energy: -725.151
where: short stacking energy: -309.376
Base-Backbone interact. energy: -3.333
local terms energy: -334.786256
where:
bonds (distance) C4'-P energy: -58.783
bonds (distance) P-C4' energy: -72.639
flat angles C4'-P-C4' energy: -73.104
flat angles P-C4'-P energy: -46.069
tors. eta vs tors. theta energy: -84.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -997.122475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.122475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.122475 (E_RNA)
where:
Base-Base interactions energy: -692.420
where: short stacking energy: -293.358
Base-Backbone interact. energy: -3.043
local terms energy: -301.659969
where:
bonds (distance) C4'-P energy: -59.652
bonds (distance) P-C4' energy: -65.367
flat angles C4'-P-C4' energy: -57.169
flat angles P-C4'-P energy: -46.217
tors. eta vs tors. theta energy: -73.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -969.470024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.470024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.470024 (E_RNA)
where:
Base-Base interactions energy: -655.281
where: short stacking energy: -279.246
Base-Backbone interact. energy: -4.019
local terms energy: -310.170079
where:
bonds (distance) C4'-P energy: -57.871
bonds (distance) P-C4' energy: -51.940
flat angles C4'-P-C4' energy: -71.302
flat angles P-C4'-P energy: -55.072
tors. eta vs tors. theta energy: -73.985
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: 157
Temperature: 1.050000
Total energy: -912.074443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.074443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.074443 (E_RNA)
where:
Base-Base interactions energy: -613.565
where: short stacking energy: -273.217
Base-Backbone interact. energy: -1.455
local terms energy: -297.054337
where:
bonds (distance) C4'-P energy: -53.786
bonds (distance) P-C4' energy: -62.158
flat angles C4'-P-C4' energy: -64.939
flat angles P-C4'-P energy: -37.182
tors. eta vs tors. theta energy: -78.989
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: 5, replica: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -781.277035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.277035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.277035 (E_RNA)
where:
Base-Base interactions energy: -496.931
where: short stacking energy: -202.160
Base-Backbone interact. energy: 0.552
local terms energy: -284.898108
where:
bonds (distance) C4'-P energy: -65.038
bonds (distance) P-C4' energy: -62.705
flat angles C4'-P-C4' energy: -67.959
flat angles P-C4'-P energy: -38.290
tors. eta vs tors. theta energy: -50.905
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: 6, replica: 2
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -772.789006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.789006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.789006 (E_RNA)
where:
Base-Base interactions energy: -510.872
where: short stacking energy: -240.841
Base-Backbone interact. energy: 2.557
local terms energy: -264.473534
where:
bonds (distance) C4'-P energy: -52.763
bonds (distance) P-C4' energy: -43.234
flat angles C4'-P-C4' energy: -55.312
flat angles P-C4'-P energy: -43.369
tors. eta vs tors. theta energy: -69.795
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: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -617.182063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.182063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.182063 (E_RNA)
where:
Base-Base interactions energy: -363.625
where: short stacking energy: -174.883
Base-Backbone interact. energy: -0.866
local terms energy: -252.691118
where:
bonds (distance) C4'-P energy: -63.524
bonds (distance) P-C4' energy: -69.752
flat angles C4'-P-C4' energy: -53.956
flat angles P-C4'-P energy: -31.433
tors. eta vs tors. theta energy: -34.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -531.951715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.951715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.951715 (E_RNA)
where:
Base-Base interactions energy: -290.375
where: short stacking energy: -133.460
Base-Backbone interact. energy: -2.896
local terms energy: -238.680434
where:
bonds (distance) C4'-P energy: -60.515
bonds (distance) P-C4' energy: -62.193
flat angles C4'-P-C4' energy: -62.187
flat angles P-C4'-P energy: -31.554
tors. eta vs tors. theta energy: -22.232
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: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -292.509934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.509934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.509934 (E_RNA)
where:
Base-Base interactions energy: -105.154
where: short stacking energy: -83.229
Base-Backbone interact. energy: -1.014
local terms energy: -186.341343
where:
bonds (distance) C4'-P energy: -47.668
bonds (distance) P-C4' energy: -59.531
flat angles C4'-P-C4' energy: -44.802
flat angles P-C4'-P energy: -34.675
tors. eta vs tors. theta energy: 0.335
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: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -277.268782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.268782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.268782 (E_RNA)
where:
Base-Base interactions energy: -103.353
where: short stacking energy: -84.067
Base-Backbone interact. energy: -2.391
local terms energy: -171.524915
where:
bonds (distance) C4'-P energy: -49.282
bonds (distance) P-C4' energy: -54.044
flat angles C4'-P-C4' energy: -41.028
flat angles P-C4'-P energy: -25.232
tors. eta vs tors. theta energy: -1.940
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: 1, replica: 8
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1076.078425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.078425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.078425 (E_RNA)
where:
Base-Base interactions energy: -730.132
where: short stacking energy: -306.074
Base-Backbone interact. energy: -1.870
local terms energy: -344.076029
where:
bonds (distance) C4'-P energy: -65.964
bonds (distance) P-C4' energy: -70.817
flat angles C4'-P-C4' energy: -77.005
flat angles P-C4'-P energy: -43.797
tors. eta vs tors. theta energy: -86.493
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: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1016.723750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.723750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.723750 (E_RNA)
where:
Base-Base interactions energy: -678.918
where: short stacking energy: -293.253
Base-Backbone interact. energy: -1.816
local terms energy: -335.990073
where:
bonds (distance) C4'-P energy: -70.818
bonds (distance) P-C4' energy: -65.432
flat angles C4'-P-C4' energy: -69.481
flat angles P-C4'-P energy: -46.590
tors. eta vs tors. theta energy: -83.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -986.164176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.164176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.164176 (E_RNA)
where:
Base-Base interactions energy: -672.568
where: short stacking energy: -284.606
Base-Backbone interact. energy: -3.667
local terms energy: -309.929096
where:
bonds (distance) C4'-P energy: -53.664
bonds (distance) P-C4' energy: -60.782
flat angles C4'-P-C4' energy: -62.117
flat angles P-C4'-P energy: -47.402
tors. eta vs tors. theta energy: -85.963
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: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -897.410338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.410338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.410338 (E_RNA)
where:
Base-Base interactions energy: -605.397
where: short stacking energy: -269.139
Base-Backbone interact. energy: -1.402
local terms energy: -290.611972
where:
bonds (distance) C4'-P energy: -46.919
bonds (distance) P-C4' energy: -60.165
flat angles C4'-P-C4' energy: -72.030
flat angles P-C4'-P energy: -37.965
tors. eta vs tors. theta energy: -73.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -799.062978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.062978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.062978 (E_RNA)
where:
Base-Base interactions energy: -512.606
where: short stacking energy: -230.000
Base-Backbone interact. energy: -1.887
local terms energy: -284.569800
where:
bonds (distance) C4'-P energy: -47.391
bonds (distance) P-C4' energy: -54.255
flat angles C4'-P-C4' energy: -74.208
flat angles P-C4'-P energy: -50.054
tors. eta vs tors. theta energy: -58.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -734.300855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.300855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.300855 (E_RNA)
where:
Base-Base interactions energy: -460.402
where: short stacking energy: -213.762
Base-Backbone interact. energy: -2.785
local terms energy: -271.114109
where:
bonds (distance) C4'-P energy: -69.401
bonds (distance) P-C4' energy: -46.734
flat angles C4'-P-C4' energy: -61.233
flat angles P-C4'-P energy: -43.662
tors. eta vs tors. theta energy: -50.084
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: 158
Temperature: 1.200000
Total energy: -621.351072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.351072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.351072 (E_RNA)
where:
Base-Base interactions energy: -390.489
where: short stacking energy: -187.517
Base-Backbone interact. energy: -1.584
local terms energy: -229.277556
where:
bonds (distance) C4'-P energy: -57.701
bonds (distance) P-C4' energy: -55.778
flat angles C4'-P-C4' energy: -59.140
flat angles P-C4'-P energy: -27.335
tors. eta vs tors. theta energy: -29.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -518.520507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.520507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.520507 (E_RNA)
where:
Base-Base interactions energy: -276.829
where: short stacking energy: -147.510
Base-Backbone interact. energy: -0.769
local terms energy: -240.922666
where:
bonds (distance) C4'-P energy: -53.636
bonds (distance) P-C4' energy: -65.739
flat angles C4'-P-C4' energy: -59.900
flat angles P-C4'-P energy: -39.191
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -281.116816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.116816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.116816 (E_RNA)
where:
Base-Base interactions energy: -90.859
where: short stacking energy: -81.341
Base-Backbone interact. energy: 1.291
local terms energy: -191.548874
where:
bonds (distance) C4'-P energy: -55.121
bonds (distance) P-C4' energy: -62.036
flat angles C4'-P-C4' energy: -51.243
flat angles P-C4'-P energy: -23.987
tors. eta vs tors. theta energy: 0.838
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: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -292.567900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.567900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.567900 (E_RNA)
where:
Base-Base interactions energy: -104.730
where: short stacking energy: -91.748
Base-Backbone interact. energy: 6.521
local terms energy: -194.358191
where:
bonds (distance) C4'-P energy: -64.565
bonds (distance) P-C4' energy: -61.866
flat angles C4'-P-C4' energy: -46.444
flat angles P-C4'-P energy: -23.592
tors. eta vs tors. theta energy: 2.110
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: 1, replica: 8
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1068.332245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.332245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.332245 (E_RNA)
where:
Base-Base interactions energy: -717.318
where: short stacking energy: -316.240
Base-Backbone interact. energy: -3.855
local terms energy: -347.158772
where:
bonds (distance) C4'-P energy: -70.804
bonds (distance) P-C4' energy: -67.280
flat angles C4'-P-C4' energy: -73.069
flat angles P-C4'-P energy: -52.537
tors. eta vs tors. theta energy: -83.469
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: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1032.997759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.997759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.997759 (E_RNA)
where:
Base-Base interactions energy: -697.002
where: short stacking energy: -276.689
Base-Backbone interact. energy: -0.397
local terms energy: -335.598750
where:
bonds (distance) C4'-P energy: -63.559
bonds (distance) P-C4' energy: -67.085
flat angles C4'-P-C4' energy: -66.454
flat angles P-C4'-P energy: -54.079
tors. eta vs tors. theta energy: -84.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -986.774737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.774737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.774737 (E_RNA)
where:
Base-Base interactions energy: -689.196
where: short stacking energy: -292.270
Base-Backbone interact. energy: -0.751
local terms energy: -296.827375
where:
bonds (distance) C4'-P energy: -43.263
bonds (distance) P-C4' energy: -67.795
flat angles C4'-P-C4' energy: -65.295
flat angles P-C4'-P energy: -43.763
tors. eta vs tors. theta energy: -76.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -945.393080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.393080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.393080 (E_RNA)
where:
Base-Base interactions energy: -638.343
where: short stacking energy: -284.031
Base-Backbone interact. energy: -0.625
local terms energy: -306.425875
where:
bonds (distance) C4'-P energy: -64.518
bonds (distance) P-C4' energy: -48.554
flat angles C4'-P-C4' energy: -76.371
flat angles P-C4'-P energy: -41.287
tors. eta vs tors. theta energy: -75.695
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: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -865.176842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.176842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.176842 (E_RNA)
where:
Base-Base interactions energy: -567.409
where: short stacking energy: -281.868
Base-Backbone interact. energy: -0.952
local terms energy: -296.816038
where:
bonds (distance) C4'-P energy: -49.845
bonds (distance) P-C4' energy: -68.732
flat angles C4'-P-C4' energy: -66.891
flat angles P-C4'-P energy: -36.752
tors. eta vs tors. theta energy: -74.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -751.368051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.368051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.368051 (E_RNA)
where:
Base-Base interactions energy: -472.826
where: short stacking energy: -201.611
Base-Backbone interact. energy: 0.850
local terms energy: -280.019494
where:
bonds (distance) C4'-P energy: -65.094
bonds (distance) P-C4' energy: -63.582
flat angles C4'-P-C4' energy: -64.884
flat angles P-C4'-P energy: -38.770
tors. eta vs tors. theta energy: -47.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.628 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -595.625294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.625294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.625294 (E_RNA)
where:
Base-Base interactions energy: -369.319
where: short stacking energy: -168.578
Base-Backbone interact. energy: 2.069
local terms energy: -228.375430
where:
bonds (distance) C4'-P energy: -42.928
bonds (distance) P-C4' energy: -61.940
flat angles C4'-P-C4' energy: -61.761
flat angles P-C4'-P energy: -33.878
tors. eta vs tors. theta energy: -27.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -519.807338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.807338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.807338 (E_RNA)
where:
Base-Base interactions energy: -288.546
where: short stacking energy: -177.153
Base-Backbone interact. energy: 0.996
local terms energy: -232.257227
where:
bonds (distance) C4'-P energy: -47.274
bonds (distance) P-C4' energy: -55.588
flat angles C4'-P-C4' energy: -62.361
flat angles P-C4'-P energy: -38.345
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: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -290.747161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.747161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.747161 (E_RNA)
where:
Base-Base interactions energy: -85.636
where: short stacking energy: -68.609
Base-Backbone interact. energy: -0.891
local terms energy: -204.220008
where:
bonds (distance) C4'-P energy: -59.329
bonds (distance) P-C4' energy: -62.479
flat angles C4'-P-C4' energy: -46.442
flat angles P-C4'-P energy: -37.303
tors. eta vs tors. theta energy: 1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -325.775405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.775405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.775405 (E_RNA)
where:
Base-Base interactions energy: -130.334
where: short stacking energy: -84.445
Base-Backbone interact. energy: 0.587
local terms energy: -196.029272
where:
bonds (distance) C4'-P energy: -60.567
bonds (distance) P-C4' energy: -59.096
flat angles C4'-P-C4' energy: -43.345
flat angles P-C4'-P energy: -26.965
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1071.275998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.275998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.275998 (E_RNA)
where:
Base-Base interactions energy: -726.598
where: short stacking energy: -319.237
Base-Backbone interact. energy: -3.415
local terms energy: -341.263091
where:
bonds (distance) C4'-P energy: -55.800
bonds (distance) P-C4' energy: -73.516
flat angles C4'-P-C4' energy: -77.391
flat angles P-C4'-P energy: -47.916
tors. eta vs tors. theta energy: -86.639
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: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -983.362336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.362336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.362336 (E_RNA)
where:
Base-Base interactions energy: -675.928
where: short stacking energy: -288.819
Base-Backbone interact. energy: 0.711
local terms energy: -308.145197
where:
bonds (distance) C4'-P energy: -59.539
bonds (distance) P-C4' energy: -66.068
flat angles C4'-P-C4' energy: -63.783
flat angles P-C4'-P energy: -35.216
tors. eta vs tors. theta energy: -83.540
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: 4
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -973.198485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.198485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.198485 (E_RNA)
where:
Base-Base interactions energy: -659.269
where: short stacking energy: -278.474
Base-Backbone interact. energy: -5.426
local terms energy: -308.504005
where:
bonds (distance) C4'-P energy: -55.713
bonds (distance) P-C4' energy: -64.915
flat angles C4'-P-C4' energy: -71.074
flat angles P-C4'-P energy: -44.280
tors. eta vs tors. theta energy: -72.522
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: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -913.171129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.171129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.171129 (E_RNA)
where:
Base-Base interactions energy: -596.796
where: short stacking energy: -263.817
Base-Backbone interact. energy: 0.968
local terms energy: -317.342639
where:
bonds (distance) C4'-P energy: -77.967
bonds (distance) P-C4' energy: -56.503
flat angles C4'-P-C4' energy: -71.075
flat angles P-C4'-P energy: -47.354
tors. eta vs tors. theta energy: -64.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -860.605402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.605402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.605402 (E_RNA)
where:
Base-Base interactions energy: -566.282
where: short stacking energy: -272.856
Base-Backbone interact. energy: -0.998
local terms energy: -293.325076
where:
bonds (distance) C4'-P energy: -43.734
bonds (distance) P-C4' energy: -71.990
flat angles C4'-P-C4' energy: -63.984
flat angles P-C4'-P energy: -38.954
tors. eta vs tors. theta energy: -74.664
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: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -734.231381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.231381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.231381 (E_RNA)
where:
Base-Base interactions energy: -458.859
where: short stacking energy: -213.878
Base-Backbone interact. energy: -1.567
local terms energy: -273.805202
where:
bonds (distance) C4'-P energy: -56.651
bonds (distance) P-C4' energy: -68.183
flat angles C4'-P-C4' energy: -65.706
flat angles P-C4'-P energy: -33.713
tors. eta vs tors. theta energy: -49.553
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: 7, replica: 3
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -599.154440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.154440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.154440 (E_RNA)
where:
Base-Base interactions energy: -369.796
where: short stacking energy: -168.485
Base-Backbone interact. energy: 4.863
local terms energy: -234.221685
where:
bonds (distance) C4'-P energy: -54.671
bonds (distance) P-C4' energy: -56.228
flat angles C4'-P-C4' energy: -49.902
flat angles P-C4'-P energy: -49.997
tors. eta vs tors. theta energy: -23.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -498.283152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.283152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.283152 (E_RNA)
where:
Base-Base interactions energy: -291.134
where: short stacking energy: -139.682
Base-Backbone interact. energy: -1.107
local terms energy: -206.042783
where:
bonds (distance) C4'-P energy: -51.786
bonds (distance) P-C4' energy: -59.454
flat angles C4'-P-C4' energy: -46.636
flat angles P-C4'-P energy: -29.520
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -382.164710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.164710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.164710 (E_RNA)
where:
Base-Base interactions energy: -173.786
where: short stacking energy: -87.470
Base-Backbone interact. energy: 0.691
local terms energy: -209.069806
where:
bonds (distance) C4'-P energy: -43.148
bonds (distance) P-C4' energy: -65.665
flat angles C4'-P-C4' energy: -64.476
flat angles P-C4'-P energy: -36.377
tors. eta vs tors. theta energy: 0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -271.640099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.640099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.640099 (E_RNA)
where:
Base-Base interactions energy: -90.586
where: short stacking energy: -64.808
Base-Backbone interact. energy: 0.394
local terms energy: -181.447562
where:
bonds (distance) C4'-P energy: -52.651
bonds (distance) P-C4' energy: -50.220
flat angles C4'-P-C4' energy: -49.085
flat angles P-C4'-P energy: -27.147
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1097.794404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.794404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.794404 (E_RNA)
where:
Base-Base interactions energy: -741.884
where: short stacking energy: -316.269
Base-Backbone interact. energy: -0.537
local terms energy: -355.373114
where:
bonds (distance) C4'-P energy: -64.319
bonds (distance) P-C4' energy: -69.380
flat angles C4'-P-C4' energy: -80.269
flat angles P-C4'-P energy: -57.562
tors. eta vs tors. theta energy: -83.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1002.648278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.648278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.648278 (E_RNA)
where:
Base-Base interactions energy: -690.588
where: short stacking energy: -282.430
Base-Backbone interact. energy: 0.277
local terms energy: -312.337889
where:
bonds (distance) C4'-P energy: -59.965
bonds (distance) P-C4' energy: -63.114
flat angles C4'-P-C4' energy: -65.581
flat angles P-C4'-P energy: -41.683
tors. eta vs tors. theta energy: -81.996
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: 3, replica: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -966.350374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.350374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.350374 (E_RNA)
where:
Base-Base interactions energy: -652.354
where: short stacking energy: -279.683
Base-Backbone interact. energy: -3.023
local terms energy: -310.973160
where:
bonds (distance) C4'-P energy: -54.907
bonds (distance) P-C4' energy: -59.732
flat angles C4'-P-C4' energy: -73.613
flat angles P-C4'-P energy: -49.134
tors. eta vs tors. theta energy: -73.586
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: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -917.825312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.825312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.825312 (E_RNA)
where:
Base-Base interactions energy: -611.867
where: short stacking energy: -278.122
Base-Backbone interact. energy: 1.674
local terms energy: -307.632242
where:
bonds (distance) C4'-P energy: -49.673
bonds (distance) P-C4' energy: -65.899
flat angles C4'-P-C4' energy: -77.124
flat angles P-C4'-P energy: -36.296
tors. eta vs tors. theta energy: -78.640
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: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -847.300380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.300380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.300380 (E_RNA)
where:
Base-Base interactions energy: -556.416
where: short stacking energy: -244.900
Base-Backbone interact. energy: 0.766
local terms energy: -291.650547
where:
bonds (distance) C4'-P energy: -59.752
bonds (distance) P-C4' energy: -55.683
flat angles C4'-P-C4' energy: -70.305
flat angles P-C4'-P energy: -42.087
tors. eta vs tors. theta energy: -63.824
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: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -740.135215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.135215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.135215 (E_RNA)
where:
Base-Base interactions energy: -495.654
where: short stacking energy: -203.643
Base-Backbone interact. energy: 2.488
local terms energy: -246.969123
where:
bonds (distance) C4'-P energy: -57.106
bonds (distance) P-C4' energy: -56.991
flat angles C4'-P-C4' energy: -42.685
flat angles P-C4'-P energy: -39.293
tors. eta vs tors. theta energy: -50.894
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: 161
Temperature: 1.200000
Total energy: -598.350055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.350055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.350055 (E_RNA)
where:
Base-Base interactions energy: -356.220
where: short stacking energy: -173.185
Base-Backbone interact. energy: 5.361
local terms energy: -247.491081
where:
bonds (distance) C4'-P energy: -55.131
bonds (distance) P-C4' energy: -53.237
flat angles C4'-P-C4' energy: -64.415
flat angles P-C4'-P energy: -36.512
tors. eta vs tors. theta energy: -38.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -454.966719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.966719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.966719 (E_RNA)
where:
Base-Base interactions energy: -246.790
where: short stacking energy: -118.512
Base-Backbone interact. energy: -1.356
local terms energy: -206.821340
where:
bonds (distance) C4'-P energy: -57.990
bonds (distance) P-C4' energy: -57.693
flat angles C4'-P-C4' energy: -32.991
flat angles P-C4'-P energy: -44.878
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -386.449366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.449366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.449366 (E_RNA)
where:
Base-Base interactions energy: -192.748
where: short stacking energy: -119.610
Base-Backbone interact. energy: -2.258
local terms energy: -191.443279
where:
bonds (distance) C4'-P energy: -51.342
bonds (distance) P-C4' energy: -57.841
flat angles C4'-P-C4' energy: -42.324
flat angles P-C4'-P energy: -30.298
tors. eta vs tors. theta energy: -9.639
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: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -273.930401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.930401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.930401 (E_RNA)
where:
Base-Base interactions energy: -104.366
where: short stacking energy: -86.944
Base-Backbone interact. energy: 0.615
local terms energy: -170.179362
where:
bonds (distance) C4'-P energy: -44.076
bonds (distance) P-C4' energy: -56.914
flat angles C4'-P-C4' energy: -46.162
flat angles P-C4'-P energy: -34.488
tors. eta vs tors. theta energy: 11.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1075.856816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.856816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.856816 (E_RNA)
where:
Base-Base interactions energy: -739.950
where: short stacking energy: -309.885
Base-Backbone interact. energy: -1.769
local terms energy: -334.138220
where:
bonds (distance) C4'-P energy: -61.692
bonds (distance) P-C4' energy: -68.376
flat angles C4'-P-C4' energy: -69.177
flat angles P-C4'-P energy: -50.701
tors. eta vs tors. theta energy: -84.193
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: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1022.331755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.331755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.331755 (E_RNA)
where:
Base-Base interactions energy: -687.270
where: short stacking energy: -285.836
Base-Backbone interact. energy: -1.712
local terms energy: -333.687157
where:
bonds (distance) C4'-P energy: -67.236
bonds (distance) P-C4' energy: -64.479
flat angles C4'-P-C4' energy: -69.865
flat angles P-C4'-P energy: -44.907
tors. eta vs tors. theta energy: -87.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.337 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -955.273730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.273730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.273730 (E_RNA)
where:
Base-Base interactions energy: -652.700
where: short stacking energy: -272.105
Base-Backbone interact. energy: -1.137
local terms energy: -301.436717
where:
bonds (distance) C4'-P energy: -52.672
bonds (distance) P-C4' energy: -59.638
flat angles C4'-P-C4' energy: -68.593
flat angles P-C4'-P energy: -50.340
tors. eta vs tors. theta energy: -70.193
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: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -897.110824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.110824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.110824 (E_RNA)
where:
Base-Base interactions energy: -592.493
where: short stacking energy: -277.421
Base-Backbone interact. energy: -0.127
local terms energy: -304.491108
where:
bonds (distance) C4'-P energy: -55.523
bonds (distance) P-C4' energy: -61.201
flat angles C4'-P-C4' energy: -72.369
flat angles P-C4'-P energy: -34.629
tors. eta vs tors. theta energy: -80.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -817.351073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.351073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.351073 (E_RNA)
where:
Base-Base interactions energy: -551.936
where: short stacking energy: -250.826
Base-Backbone interact. energy: -2.838
local terms energy: -262.576368
where:
bonds (distance) C4'-P energy: -48.851
bonds (distance) P-C4' energy: -57.072
flat angles C4'-P-C4' energy: -60.821
flat angles P-C4'-P energy: -34.367
tors. eta vs tors. theta energy: -61.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -768.894240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.894240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.894240 (E_RNA)
where:
Base-Base interactions energy: -483.271
where: short stacking energy: -219.437
Base-Backbone interact. energy: -3.285
local terms energy: -284.988790
where:
bonds (distance) C4'-P energy: -56.894
bonds (distance) P-C4' energy: -56.211
flat angles C4'-P-C4' energy: -69.153
flat angles P-C4'-P energy: -43.221
tors. eta vs tors. theta energy: -59.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.650 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -572.129770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.129770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.129770 (E_RNA)
where:
Base-Base interactions energy: -340.523
where: short stacking energy: -157.264
Base-Backbone interact. energy: -2.328
local terms energy: -229.278206
where:
bonds (distance) C4'-P energy: -51.828
bonds (distance) P-C4' energy: -64.212
flat angles C4'-P-C4' energy: -49.181
flat angles P-C4'-P energy: -40.355
tors. eta vs tors. theta energy: -23.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -454.169363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.169363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.169363 (E_RNA)
where:
Base-Base interactions energy: -242.491
where: short stacking energy: -117.671
Base-Backbone interact. energy: 8.620
local terms energy: -220.298307
where:
bonds (distance) C4'-P energy: -56.014
bonds (distance) P-C4' energy: -63.931
flat angles C4'-P-C4' energy: -57.284
flat angles P-C4'-P energy: -29.016
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: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -349.584140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.584140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.584140 (E_RNA)
where:
Base-Base interactions energy: -162.519
where: short stacking energy: -78.943
Base-Backbone interact. energy: 2.493
local terms energy: -189.557623
where:
bonds (distance) C4'-P energy: -49.834
bonds (distance) P-C4' energy: -54.906
flat angles C4'-P-C4' energy: -54.909
flat angles P-C4'-P energy: -28.359
tors. eta vs tors. theta energy: -1.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -261.707257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.707257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.707257 (E_RNA)
where:
Base-Base interactions energy: -89.325
where: short stacking energy: -77.674
Base-Backbone interact. energy: 2.307
local terms energy: -174.689137
where:
bonds (distance) C4'-P energy: -66.665
bonds (distance) P-C4' energy: -45.933
flat angles C4'-P-C4' energy: -54.487
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: 8.403
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: 1, replica: 8
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1071.530676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.530676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.530676 (E_RNA)
where:
Base-Base interactions energy: -745.899
where: short stacking energy: -306.631
Base-Backbone interact. energy: -1.485
local terms energy: -324.146106
where:
bonds (distance) C4'-P energy: -60.631
bonds (distance) P-C4' energy: -62.995
flat angles C4'-P-C4' energy: -70.629
flat angles P-C4'-P energy: -52.987
tors. eta vs tors. theta energy: -76.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1005.129150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.129150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.129150 (E_RNA)
where:
Base-Base interactions energy: -680.842
where: short stacking energy: -292.267
Base-Backbone interact. energy: -0.186
local terms energy: -324.100361
where:
bonds (distance) C4'-P energy: -69.390
bonds (distance) P-C4' energy: -54.571
flat angles C4'-P-C4' energy: -67.748
flat angles P-C4'-P energy: -45.079
tors. eta vs tors. theta energy: -87.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -946.348333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.348333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.348333 (E_RNA)
where:
Base-Base interactions energy: -636.264
where: short stacking energy: -260.457
Base-Backbone interact. energy: -0.985
local terms energy: -309.098846
where:
bonds (distance) C4'-P energy: -44.267
bonds (distance) P-C4' energy: -63.726
flat angles C4'-P-C4' energy: -78.514
flat angles P-C4'-P energy: -47.356
tors. eta vs tors. theta energy: -75.237
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: 10
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -862.764336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.764336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.764336 (E_RNA)
where:
Base-Base interactions energy: -556.310
where: short stacking energy: -258.060
Base-Backbone interact. energy: -0.509
local terms energy: -305.944926
where:
bonds (distance) C4'-P energy: -60.338
bonds (distance) P-C4' energy: -67.465
flat angles C4'-P-C4' energy: -64.662
flat angles P-C4'-P energy: -47.973
tors. eta vs tors. theta energy: -65.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -747.124008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.124008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.124008 (E_RNA)
where:
Base-Base interactions energy: -477.557
where: short stacking energy: -212.073
Base-Backbone interact. energy: 0.298
local terms energy: -269.865370
where:
bonds (distance) C4'-P energy: -63.448
bonds (distance) P-C4' energy: -58.067
flat angles C4'-P-C4' energy: -59.546
flat angles P-C4'-P energy: -41.285
tors. eta vs tors. theta energy: -47.520
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: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -763.830411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.830411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.830411 (E_RNA)
where:
Base-Base interactions energy: -506.189
where: short stacking energy: -248.501
Base-Backbone interact. energy: -2.070
local terms energy: -255.571709
where:
bonds (distance) C4'-P energy: -54.035
bonds (distance) P-C4' energy: -49.822
flat angles C4'-P-C4' energy: -58.794
flat angles P-C4'-P energy: -35.089
tors. eta vs tors. theta energy: -57.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -622.302175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.302175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.302175 (E_RNA)
where:
Base-Base interactions energy: -373.764
where: short stacking energy: -186.125
Base-Backbone interact. energy: -0.753
local terms energy: -247.785095
where:
bonds (distance) C4'-P energy: -45.721
bonds (distance) P-C4' energy: -61.044
flat angles C4'-P-C4' energy: -58.925
flat angles P-C4'-P energy: -36.816
tors. eta vs tors. theta energy: -45.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -469.062064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.062064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.062064 (E_RNA)
where:
Base-Base interactions energy: -255.756
where: short stacking energy: -141.278
Base-Backbone interact. energy: 0.391
local terms energy: -213.696980
where:
bonds (distance) C4'-P energy: -56.622
bonds (distance) P-C4' energy: -46.793
flat angles C4'-P-C4' energy: -52.451
flat angles P-C4'-P energy: -44.564
tors. eta vs tors. theta energy: -13.267
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: 163
Temperature: 1.300000
Total energy: -338.618469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.618469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.618469 (E_RNA)
where:
Base-Base interactions energy: -143.328
where: short stacking energy: -105.275
Base-Backbone interact. energy: -0.363
local terms energy: -194.927586
where:
bonds (distance) C4'-P energy: -54.961
bonds (distance) P-C4' energy: -50.772
flat angles C4'-P-C4' energy: -54.825
flat angles P-C4'-P energy: -24.014
tors. eta vs tors. theta energy: -10.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -264.924662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.924662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.924662 (E_RNA)
where:
Base-Base interactions energy: -93.215
where: short stacking energy: -84.542
Base-Backbone interact. energy: 1.048
local terms energy: -172.758362
where:
bonds (distance) C4'-P energy: -41.225
bonds (distance) P-C4' energy: -58.320
flat angles C4'-P-C4' energy: -50.412
flat angles P-C4'-P energy: -24.588
tors. eta vs tors. theta energy: 1.786
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: 8
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1063.789439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.789439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.789439 (E_RNA)
where:
Base-Base interactions energy: -727.425
where: short stacking energy: -316.700
Base-Backbone interact. energy: -1.268
local terms energy: -335.096642
where:
bonds (distance) C4'-P energy: -76.586
bonds (distance) P-C4' energy: -59.417
flat angles C4'-P-C4' energy: -68.616
flat angles P-C4'-P energy: -50.478
tors. eta vs tors. theta energy: -80.000
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: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -998.617128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.617128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.617128 (E_RNA)
where:
Base-Base interactions energy: -674.591
where: short stacking energy: -299.283
Base-Backbone interact. energy: -1.195
local terms energy: -322.831962
where:
bonds (distance) C4'-P energy: -65.733
bonds (distance) P-C4' energy: -65.455
flat angles C4'-P-C4' energy: -62.132
flat angles P-C4'-P energy: -43.000
tors. eta vs tors. theta energy: -86.513
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: 10
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -921.076782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.076782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.076782 (E_RNA)
where:
Base-Base interactions energy: -612.039
where: short stacking energy: -273.221
Base-Backbone interact. energy: -1.185
local terms energy: -307.852754
where:
bonds (distance) C4'-P energy: -57.377
bonds (distance) P-C4' energy: -67.309
flat angles C4'-P-C4' energy: -62.815
flat angles P-C4'-P energy: -38.684
tors. eta vs tors. theta energy: -81.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -953.547801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.547801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.547801 (E_RNA)
where:
Base-Base interactions energy: -638.594
where: short stacking energy: -259.921
Base-Backbone interact. energy: -1.799
local terms energy: -313.155545
where:
bonds (distance) C4'-P energy: -64.357
bonds (distance) P-C4' energy: -67.189
flat angles C4'-P-C4' energy: -68.228
flat angles P-C4'-P energy: -39.497
tors. eta vs tors. theta energy: -73.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -733.243724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.243724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.243724 (E_RNA)
where:
Base-Base interactions energy: -475.762
where: short stacking energy: -231.642
Base-Backbone interact. energy: -1.166
local terms energy: -256.314969
where:
bonds (distance) C4'-P energy: -44.086
bonds (distance) P-C4' energy: -56.472
flat angles C4'-P-C4' energy: -63.833
flat angles P-C4'-P energy: -38.137
tors. eta vs tors. theta energy: -53.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -732.302294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.302294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.302294 (E_RNA)
where:
Base-Base interactions energy: -483.061
where: short stacking energy: -220.540
Base-Backbone interact. energy: 11.302
local terms energy: -260.543518
where:
bonds (distance) C4'-P energy: -45.168
bonds (distance) P-C4' energy: -52.922
flat angles C4'-P-C4' energy: -63.809
flat angles P-C4'-P energy: -43.576
tors. eta vs tors. theta energy: -55.069
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: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -639.206524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.206524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.206524 (E_RNA)
where:
Base-Base interactions energy: -395.165
where: short stacking energy: -191.954
Base-Backbone interact. energy: -1.225
local terms energy: -242.816558
where:
bonds (distance) C4'-P energy: -56.767
bonds (distance) P-C4' energy: -57.980
flat angles C4'-P-C4' energy: -49.363
flat angles P-C4'-P energy: -37.561
tors. eta vs tors. theta energy: -41.145
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: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -460.496810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.496810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.496810 (E_RNA)
where:
Base-Base interactions energy: -247.028
where: short stacking energy: -133.535
Base-Backbone interact. energy: -1.570
local terms energy: -211.899188
where:
bonds (distance) C4'-P energy: -51.056
bonds (distance) P-C4' energy: -64.129
flat angles C4'-P-C4' energy: -43.433
flat angles P-C4'-P energy: -35.027
tors. eta vs tors. theta energy: -18.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -326.820603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.820603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.820603 (E_RNA)
where:
Base-Base interactions energy: -127.261
where: short stacking energy: -92.341
Base-Backbone interact. energy: -0.714
local terms energy: -198.845433
where:
bonds (distance) C4'-P energy: -50.752
bonds (distance) P-C4' energy: -47.523
flat angles C4'-P-C4' energy: -62.000
flat angles P-C4'-P energy: -33.104
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -253.494749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.494749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.494749 (E_RNA)
where:
Base-Base interactions energy: -83.897
where: short stacking energy: -67.989
Base-Backbone interact. energy: -2.329
local terms energy: -167.268695
where:
bonds (distance) C4'-P energy: -48.861
bonds (distance) P-C4' energy: -58.548
flat angles C4'-P-C4' energy: -50.616
flat angles P-C4'-P energy: -26.715
tors. eta vs tors. theta energy: 17.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1058.356890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.356890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.356890 (E_RNA)
where:
Base-Base interactions energy: -725.465
where: short stacking energy: -303.241
Base-Backbone interact. energy: -0.178
local terms energy: -332.714281
where:
bonds (distance) C4'-P energy: -59.146
bonds (distance) P-C4' energy: -72.290
flat angles C4'-P-C4' energy: -68.214
flat angles P-C4'-P energy: -47.480
tors. eta vs tors. theta energy: -85.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -978.326479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.326479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.326479 (E_RNA)
where:
Base-Base interactions energy: -643.957
where: short stacking energy: -301.215
Base-Backbone interact. energy: -0.427
local terms energy: -333.943227
where:
bonds (distance) C4'-P energy: -67.751
bonds (distance) P-C4' energy: -58.183
flat angles C4'-P-C4' energy: -71.550
flat angles P-C4'-P energy: -47.442
tors. eta vs tors. theta energy: -89.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -998.839522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.839522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.839522 (E_RNA)
where:
Base-Base interactions energy: -700.578
where: short stacking energy: -286.456
Base-Backbone interact. energy: -2.847
local terms energy: -295.654774
where:
bonds (distance) C4'-P energy: -56.282
bonds (distance) P-C4' energy: -54.818
flat angles C4'-P-C4' energy: -55.908
flat angles P-C4'-P energy: -46.044
tors. eta vs tors. theta energy: -82.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.240 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -928.045790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.045790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.045790 (E_RNA)
where:
Base-Base interactions energy: -629.366
where: short stacking energy: -261.403
Base-Backbone interact. energy: -3.294
local terms energy: -295.386518
where:
bonds (distance) C4'-P energy: -58.613
bonds (distance) P-C4' energy: -59.799
flat angles C4'-P-C4' energy: -72.533
flat angles P-C4'-P energy: -41.139
tors. eta vs tors. theta energy: -63.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -738.360037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.360037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.360037 (E_RNA)
where:
Base-Base interactions energy: -454.622
where: short stacking energy: -223.780
Base-Backbone interact. energy: -1.219
local terms energy: -282.518402
where:
bonds (distance) C4'-P energy: -69.629
bonds (distance) P-C4' energy: -58.623
flat angles C4'-P-C4' energy: -53.947
flat angles P-C4'-P energy: -47.543
tors. eta vs tors. theta energy: -52.776
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: 6, replica: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -780.999587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.999587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.999587 (E_RNA)
where:
Base-Base interactions energy: -506.832
where: short stacking energy: -230.879
Base-Backbone interact. energy: -0.628
local terms energy: -273.540124
where:
bonds (distance) C4'-P energy: -57.875
bonds (distance) P-C4' energy: -63.416
flat angles C4'-P-C4' energy: -54.644
flat angles P-C4'-P energy: -38.700
tors. eta vs tors. theta energy: -58.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -583.863601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.863601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.863601 (E_RNA)
where:
Base-Base interactions energy: -343.026
where: short stacking energy: -158.633
Base-Backbone interact. energy: -1.604
local terms energy: -239.233214
where:
bonds (distance) C4'-P energy: -48.904
bonds (distance) P-C4' energy: -58.701
flat angles C4'-P-C4' energy: -64.097
flat angles P-C4'-P energy: -37.723
tors. eta vs tors. theta energy: -29.807
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: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -460.142563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.142563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.142563 (E_RNA)
where:
Base-Base interactions energy: -249.502
where: short stacking energy: -122.895
Base-Backbone interact. energy: 1.474
local terms energy: -212.113970
where:
bonds (distance) C4'-P energy: -60.972
bonds (distance) P-C4' energy: -55.606
flat angles C4'-P-C4' energy: -49.230
flat angles P-C4'-P energy: -31.215
tors. eta vs tors. theta energy: -15.091
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: 165
Temperature: 1.300000
Total energy: -299.029934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.029934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.029934 (E_RNA)
where:
Base-Base interactions energy: -124.114
where: short stacking energy: -72.537
Base-Backbone interact. energy: 2.000
local terms energy: -176.915210
where:
bonds (distance) C4'-P energy: -52.003
bonds (distance) P-C4' energy: -52.586
flat angles C4'-P-C4' energy: -51.371
flat angles P-C4'-P energy: -28.084
tors. eta vs tors. theta energy: 7.130
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: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -271.801755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.801755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.801755 (E_RNA)
where:
Base-Base interactions energy: -73.796
where: short stacking energy: -59.784
Base-Backbone interact. energy: -1.368
local terms energy: -196.637542
where:
bonds (distance) C4'-P energy: -42.106
bonds (distance) P-C4' energy: -49.369
flat angles C4'-P-C4' energy: -66.738
flat angles P-C4'-P energy: -37.279
tors. eta vs tors. theta energy: -1.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1060.918750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.918750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.918750 (E_RNA)
where:
Base-Base interactions energy: -721.012
where: short stacking energy: -307.488
Base-Backbone interact. energy: -2.772
local terms energy: -337.134750
where:
bonds (distance) C4'-P energy: -60.509
bonds (distance) P-C4' energy: -63.529
flat angles C4'-P-C4' energy: -69.486
flat angles P-C4'-P energy: -51.192
tors. eta vs tors. theta energy: -92.419
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: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -990.554555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.554555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.554555 (E_RNA)
where:
Base-Base interactions energy: -664.055
where: short stacking energy: -290.067
Base-Backbone interact. energy: 1.042
local terms energy: -327.541594
where:
bonds (distance) C4'-P energy: -74.143
bonds (distance) P-C4' energy: -52.922
flat angles C4'-P-C4' energy: -64.347
flat angles P-C4'-P energy: -46.868
tors. eta vs tors. theta energy: -89.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -989.348577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.348577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.348577 (E_RNA)
where:
Base-Base interactions energy: -671.308
where: short stacking energy: -279.196
Base-Backbone interact. energy: 0.839
local terms energy: -318.880097
where:
bonds (distance) C4'-P energy: -51.741
bonds (distance) P-C4' energy: -62.887
flat angles C4'-P-C4' energy: -68.795
flat angles P-C4'-P energy: -53.636
tors. eta vs tors. theta energy: -81.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -911.495326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.495326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.495326 (E_RNA)
where:
Base-Base interactions energy: -611.347
where: short stacking energy: -254.679
Base-Backbone interact. energy: -1.386
local terms energy: -298.762031
where:
bonds (distance) C4'-P energy: -54.453
bonds (distance) P-C4' energy: -53.743
flat angles C4'-P-C4' energy: -72.221
flat angles P-C4'-P energy: -48.765
tors. eta vs tors. theta energy: -69.579
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: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -782.564323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.564323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.564323 (E_RNA)
where:
Base-Base interactions energy: -517.262
where: short stacking energy: -222.663
Base-Backbone interact. energy: 1.030
local terms energy: -266.332631
where:
bonds (distance) C4'-P energy: -50.263
bonds (distance) P-C4' energy: -73.660
flat angles C4'-P-C4' energy: -54.769
flat angles P-C4'-P energy: -31.532
tors. eta vs tors. theta energy: -56.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -725.746484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.746484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.746484 (E_RNA)
where:
Base-Base interactions energy: -450.853
where: short stacking energy: -224.687
Base-Backbone interact. energy: -1.724
local terms energy: -273.169635
where:
bonds (distance) C4'-P energy: -57.462
bonds (distance) P-C4' energy: -63.453
flat angles C4'-P-C4' energy: -57.399
flat angles P-C4'-P energy: -38.501
tors. eta vs tors. theta energy: -56.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -575.825383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.825383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.825383 (E_RNA)
where:
Base-Base interactions energy: -341.828
where: short stacking energy: -174.007
Base-Backbone interact. energy: 1.290
local terms energy: -235.287797
where:
bonds (distance) C4'-P energy: -42.711
bonds (distance) P-C4' energy: -61.424
flat angles C4'-P-C4' energy: -54.894
flat angles P-C4'-P energy: -39.607
tors. eta vs tors. theta energy: -36.651
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: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -470.370377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.370377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.370377 (E_RNA)
where:
Base-Base interactions energy: -265.615
where: short stacking energy: -131.093
Base-Backbone interact. energy: -1.030
local terms energy: -203.725513
where:
bonds (distance) C4'-P energy: -57.967
bonds (distance) P-C4' energy: -55.997
flat angles C4'-P-C4' energy: -56.796
flat angles P-C4'-P energy: -30.117
tors. eta vs tors. theta energy: -2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -336.284706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.284706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.284706 (E_RNA)
where:
Base-Base interactions energy: -160.096
where: short stacking energy: -105.553
Base-Backbone interact. energy: 7.307
local terms energy: -183.495518
where:
bonds (distance) C4'-P energy: -51.996
bonds (distance) P-C4' energy: -58.703
flat angles C4'-P-C4' energy: -45.961
flat angles P-C4'-P energy: -25.323
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -265.027993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.027993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.027993 (E_RNA)
where:
Base-Base interactions energy: -100.180
where: short stacking energy: -73.481
Base-Backbone interact. energy: 0.405
local terms energy: -165.253128
where:
bonds (distance) C4'-P energy: -32.928
bonds (distance) P-C4' energy: -52.330
flat angles C4'-P-C4' energy: -50.151
flat angles P-C4'-P energy: -31.023
tors. eta vs tors. theta energy: 1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1069.823880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.823880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.823880 (E_RNA)
where:
Base-Base interactions energy: -720.154
where: short stacking energy: -311.789
Base-Backbone interact. energy: -1.689
local terms energy: -347.980636
where:
bonds (distance) C4'-P energy: -73.430
bonds (distance) P-C4' energy: -69.303
flat angles C4'-P-C4' energy: -72.441
flat angles P-C4'-P energy: -49.928
tors. eta vs tors. theta energy: -82.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1028.736559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.736559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.736559 (E_RNA)
where:
Base-Base interactions energy: -676.840
where: short stacking energy: -319.093
Base-Backbone interact. energy: -0.958
local terms energy: -350.938090
where:
bonds (distance) C4'-P energy: -61.241
bonds (distance) P-C4' energy: -66.478
flat angles C4'-P-C4' energy: -80.424
flat angles P-C4'-P energy: -48.782
tors. eta vs tors. theta energy: -94.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -989.185190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.185190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.185190 (E_RNA)
where:
Base-Base interactions energy: -677.539
where: short stacking energy: -261.856
Base-Backbone interact. energy: -2.649
local terms energy: -308.996850
where:
bonds (distance) C4'-P energy: -59.674
bonds (distance) P-C4' energy: -68.626
flat angles C4'-P-C4' energy: -66.152
flat angles P-C4'-P energy: -41.866
tors. eta vs tors. theta energy: -72.680
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: 4, replica: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -941.441393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.441393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.441393 (E_RNA)
where:
Base-Base interactions energy: -619.311
where: short stacking energy: -262.547
Base-Backbone interact. energy: -4.394
local terms energy: -317.736909
where:
bonds (distance) C4'-P energy: -61.826
bonds (distance) P-C4' energy: -67.309
flat angles C4'-P-C4' energy: -65.929
flat angles P-C4'-P energy: -50.698
tors. eta vs tors. theta energy: -71.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -769.736289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.736289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.736289 (E_RNA)
where:
Base-Base interactions energy: -500.619
where: short stacking energy: -237.190
Base-Backbone interact. energy: 0.754
local terms energy: -269.871230
where:
bonds (distance) C4'-P energy: -61.629
bonds (distance) P-C4' energy: -43.037
flat angles C4'-P-C4' energy: -64.506
flat angles P-C4'-P energy: -45.250
tors. eta vs tors. theta energy: -55.448
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: 6, replica: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -726.133239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.133239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.133239 (E_RNA)
where:
Base-Base interactions energy: -467.842
where: short stacking energy: -218.050
Base-Backbone interact. energy: -1.350
local terms energy: -256.941473
where:
bonds (distance) C4'-P energy: -50.377
bonds (distance) P-C4' energy: -66.627
flat angles C4'-P-C4' energy: -58.928
flat angles P-C4'-P energy: -33.256
tors. eta vs tors. theta energy: -47.755
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: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -536.335173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.335173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.335173 (E_RNA)
where:
Base-Base interactions energy: -298.939
where: short stacking energy: -148.767
Base-Backbone interact. energy: -0.990
local terms energy: -236.406219
where:
bonds (distance) C4'-P energy: -56.847
bonds (distance) P-C4' energy: -63.692
flat angles C4'-P-C4' energy: -51.703
flat angles P-C4'-P energy: -32.649
tors. eta vs tors. theta energy: -31.515
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: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -452.076159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.076159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.076159 (E_RNA)
where:
Base-Base interactions energy: -243.402
where: short stacking energy: -144.909
Base-Backbone interact. energy: -0.489
local terms energy: -208.185674
where:
bonds (distance) C4'-P energy: -54.999
bonds (distance) P-C4' energy: -67.104
flat angles C4'-P-C4' energy: -43.937
flat angles P-C4'-P energy: -37.697
tors. eta vs tors. theta energy: -4.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -305.482707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.482707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.482707 (E_RNA)
where:
Base-Base interactions energy: -149.719
where: short stacking energy: -70.464
Base-Backbone interact. energy: 0.611
local terms energy: -156.374280
where:
bonds (distance) C4'-P energy: -55.115
bonds (distance) P-C4' energy: -47.826
flat angles C4'-P-C4' energy: -46.533
flat angles P-C4'-P energy: -30.881
tors. eta vs tors. theta energy: 23.982
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: 10, replica: 5
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -282.067856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.067856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.067856 (E_RNA)
where:
Base-Base interactions energy: -111.198
where: short stacking energy: -96.832
Base-Backbone interact. energy: -1.417
local terms energy: -169.452749
where:
bonds (distance) C4'-P energy: -38.397
bonds (distance) P-C4' energy: -56.308
flat angles C4'-P-C4' energy: -36.090
flat angles P-C4'-P energy: -27.918
tors. eta vs tors. theta energy: -10.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1082.220964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.220964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.220964 (E_RNA)
where:
Base-Base interactions energy: -738.313
where: short stacking energy: -324.542
Base-Backbone interact. energy: 2.088
local terms energy: -346.144395
where:
bonds (distance) C4'-P energy: -65.014
bonds (distance) P-C4' energy: -68.250
flat angles C4'-P-C4' energy: -72.085
flat angles P-C4'-P energy: -48.726
tors. eta vs tors. theta energy: -92.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.148 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1003.271004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.271004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.271004 (E_RNA)
where:
Base-Base interactions energy: -668.995
where: short stacking energy: -319.943
Base-Backbone interact. energy: -0.857
local terms energy: -333.418290
where:
bonds (distance) C4'-P energy: -52.156
bonds (distance) P-C4' energy: -64.278
flat angles C4'-P-C4' energy: -70.543
flat angles P-C4'-P energy: -52.846
tors. eta vs tors. theta energy: -93.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -998.070665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.070665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.070665 (E_RNA)
where:
Base-Base interactions energy: -682.216
where: short stacking energy: -293.190
Base-Backbone interact. energy: -1.065
local terms energy: -314.789429
where:
bonds (distance) C4'-P energy: -57.434
bonds (distance) P-C4' energy: -55.184
flat angles C4'-P-C4' energy: -70.377
flat angles P-C4'-P energy: -51.108
tors. eta vs tors. theta energy: -80.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -943.649219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.649219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.649219 (E_RNA)
where:
Base-Base interactions energy: -628.444
where: short stacking energy: -278.812
Base-Backbone interact. energy: -1.546
local terms energy: -313.658929
where:
bonds (distance) C4'-P energy: -53.870
bonds (distance) P-C4' energy: -60.479
flat angles C4'-P-C4' energy: -74.504
flat angles P-C4'-P energy: -47.842
tors. eta vs tors. theta energy: -76.964
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: 5, replica: 2
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -795.864101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.864101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.864101 (E_RNA)
where:
Base-Base interactions energy: -510.286
where: short stacking energy: -225.069
Base-Backbone interact. energy: -3.123
local terms energy: -282.454993
where:
bonds (distance) C4'-P energy: -63.304
bonds (distance) P-C4' energy: -59.039
flat angles C4'-P-C4' energy: -56.221
flat angles P-C4'-P energy: -46.839
tors. eta vs tors. theta energy: -57.052
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: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -750.333569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.333569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.333569 (E_RNA)
where:
Base-Base interactions energy: -482.585
where: short stacking energy: -215.764
Base-Backbone interact. energy: -1.143
local terms energy: -266.605619
where:
bonds (distance) C4'-P energy: -51.156
bonds (distance) P-C4' energy: -59.197
flat angles C4'-P-C4' energy: -58.904
flat angles P-C4'-P energy: -36.937
tors. eta vs tors. theta energy: -60.412
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: 168
Temperature: 1.200000
Total energy: -556.434636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.434636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.434636 (E_RNA)
where:
Base-Base interactions energy: -323.527
where: short stacking energy: -152.274
Base-Backbone interact. energy: 0.452
local terms energy: -233.359539
where:
bonds (distance) C4'-P energy: -60.096
bonds (distance) P-C4' energy: -52.335
flat angles C4'-P-C4' energy: -57.425
flat angles P-C4'-P energy: -32.323
tors. eta vs tors. theta energy: -31.181
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: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -451.974647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.974647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.974647 (E_RNA)
where:
Base-Base interactions energy: -236.823
where: short stacking energy: -131.454
Base-Backbone interact. energy: 5.269
local terms energy: -220.420273
where:
bonds (distance) C4'-P energy: -44.506
bonds (distance) P-C4' energy: -57.185
flat angles C4'-P-C4' energy: -57.627
flat angles P-C4'-P energy: -41.050
tors. eta vs tors. theta energy: -20.052
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: 9, replica: 5
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -291.866114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.866114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.866114 (E_RNA)
where:
Base-Base interactions energy: -111.633
where: short stacking energy: -89.015
Base-Backbone interact. energy: -1.108
local terms energy: -179.125210
where:
bonds (distance) C4'-P energy: -52.674
bonds (distance) P-C4' energy: -49.388
flat angles C4'-P-C4' energy: -46.518
flat angles P-C4'-P energy: -35.071
tors. eta vs tors. theta energy: 4.526
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: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -281.788456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.788456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.788456 (E_RNA)
where:
Base-Base interactions energy: -127.858
where: short stacking energy: -85.108
Base-Backbone interact. energy: 4.207
local terms energy: -158.137051
where:
bonds (distance) C4'-P energy: -54.061
bonds (distance) P-C4' energy: -60.707
flat angles C4'-P-C4' energy: -41.201
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: 10.107
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: 1, replica: 8
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1065.259711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.259711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.259711 (E_RNA)
where:
Base-Base interactions energy: -735.874
where: short stacking energy: -320.162
Base-Backbone interact. energy: 0.376
local terms energy: -329.761833
where:
bonds (distance) C4'-P energy: -58.567
bonds (distance) P-C4' energy: -65.255
flat angles C4'-P-C4' energy: -66.684
flat angles P-C4'-P energy: -53.679
tors. eta vs tors. theta energy: -85.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -982.043426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.043426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.043426 (E_RNA)
where:
Base-Base interactions energy: -645.750
where: short stacking energy: -305.535
Base-Backbone interact. energy: 1.769
local terms energy: -338.062795
where:
bonds (distance) C4'-P energy: -52.440
bonds (distance) P-C4' energy: -66.341
flat angles C4'-P-C4' energy: -78.126
flat angles P-C4'-P energy: -43.746
tors. eta vs tors. theta energy: -97.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1007.668127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.668127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.668127 (E_RNA)
where:
Base-Base interactions energy: -671.503
where: short stacking energy: -279.464
Base-Backbone interact. energy: -0.024
local terms energy: -336.141955
where:
bonds (distance) C4'-P energy: -60.583
bonds (distance) P-C4' energy: -67.496
flat angles C4'-P-C4' energy: -71.936
flat angles P-C4'-P energy: -49.681
tors. eta vs tors. theta energy: -86.445
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: 169
Temperature: 1.050000
Total energy: -977.353898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.353898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.353898 (E_RNA)
where:
Base-Base interactions energy: -667.557
where: short stacking energy: -290.829
Base-Backbone interact. energy: -2.132
local terms energy: -307.665082
where:
bonds (distance) C4'-P energy: -53.191
bonds (distance) P-C4' energy: -60.224
flat angles C4'-P-C4' energy: -66.538
flat angles P-C4'-P energy: -45.700
tors. eta vs tors. theta energy: -82.011
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: 5, replica: 2
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -780.569711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.569711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.569711 (E_RNA)
where:
Base-Base interactions energy: -488.561
where: short stacking energy: -247.132
Base-Backbone interact. energy: -1.835
local terms energy: -290.173542
where:
bonds (distance) C4'-P energy: -53.731
bonds (distance) P-C4' energy: -67.189
flat angles C4'-P-C4' energy: -64.668
flat angles P-C4'-P energy: -42.084
tors. eta vs tors. theta energy: -62.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -774.594825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.594825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.594825 (E_RNA)
where:
Base-Base interactions energy: -488.522
where: short stacking energy: -229.311
Base-Backbone interact. energy: -0.096
local terms energy: -285.976529
where:
bonds (distance) C4'-P energy: -61.735
bonds (distance) P-C4' energy: -58.043
flat angles C4'-P-C4' energy: -62.205
flat angles P-C4'-P energy: -45.642
tors. eta vs tors. theta energy: -58.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -561.114373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.114373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.114373 (E_RNA)
where:
Base-Base interactions energy: -335.929
where: short stacking energy: -161.823
Base-Backbone interact. energy: -1.935
local terms energy: -224.192105
where:
bonds (distance) C4'-P energy: -51.738
bonds (distance) P-C4' energy: -62.278
flat angles C4'-P-C4' energy: -54.904
flat angles P-C4'-P energy: -26.230
tors. eta vs tors. theta energy: -29.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.941 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -449.653732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.653732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.653732 (E_RNA)
where:
Base-Base interactions energy: -256.073
where: short stacking energy: -122.540
Base-Backbone interact. energy: -1.419
local terms energy: -192.162006
where:
bonds (distance) C4'-P energy: -50.485
bonds (distance) P-C4' energy: -52.417
flat angles C4'-P-C4' energy: -50.297
flat angles P-C4'-P energy: -34.248
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -277.582285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.582285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.582285 (E_RNA)
where:
Base-Base interactions energy: -96.392
where: short stacking energy: -73.693
Base-Backbone interact. energy: -1.138
local terms energy: -180.698538
where:
bonds (distance) C4'-P energy: -58.725
bonds (distance) P-C4' energy: -44.916
flat angles C4'-P-C4' energy: -44.717
flat angles P-C4'-P energy: -44.632
tors. eta vs tors. theta energy: 12.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.646 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -309.883617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.883617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.883617 (E_RNA)
where:
Base-Base interactions energy: -136.194
where: short stacking energy: -94.510
Base-Backbone interact. energy: 1.000
local terms energy: -174.689760
where:
bonds (distance) C4'-P energy: -41.633
bonds (distance) P-C4' energy: -59.335
flat angles C4'-P-C4' energy: -52.506
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: 3.671
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: 8
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1037.161787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.161787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.161787 (E_RNA)
where:
Base-Base interactions energy: -704.348
where: short stacking energy: -303.661
Base-Backbone interact. energy: -1.751
local terms energy: -331.438344
where:
bonds (distance) C4'-P energy: -67.057
bonds (distance) P-C4' energy: -66.257
flat angles C4'-P-C4' energy: -68.662
flat angles P-C4'-P energy: -50.015
tors. eta vs tors. theta energy: -79.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.375 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -999.555817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.555817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.555817 (E_RNA)
where:
Base-Base interactions energy: -670.722
where: short stacking energy: -311.886
Base-Backbone interact. energy: 4.746
local terms energy: -333.579209
where:
bonds (distance) C4'-P energy: -48.787
bonds (distance) P-C4' energy: -64.197
flat angles C4'-P-C4' energy: -69.913
flat angles P-C4'-P energy: -56.877
tors. eta vs tors. theta energy: -93.804
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: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1013.780828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.780828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.780828 (E_RNA)
where:
Base-Base interactions energy: -685.037
where: short stacking energy: -285.031
Base-Backbone interact. energy: -1.845
local terms energy: -327.542140
where:
bonds (distance) C4'-P energy: -67.407
bonds (distance) P-C4' energy: -68.433
flat angles C4'-P-C4' energy: -60.026
flat angles P-C4'-P energy: -44.213
tors. eta vs tors. theta energy: -87.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.643 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -988.575813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.575813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.575813 (E_RNA)
where:
Base-Base interactions energy: -674.845
where: short stacking energy: -300.125
Base-Backbone interact. energy: -0.433
local terms energy: -313.297196
where:
bonds (distance) C4'-P energy: -56.184
bonds (distance) P-C4' energy: -61.170
flat angles C4'-P-C4' energy: -74.614
flat angles P-C4'-P energy: -37.763
tors. eta vs tors. theta energy: -83.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -759.084742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.084742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.084742 (E_RNA)
where:
Base-Base interactions energy: -481.156
where: short stacking energy: -231.272
Base-Backbone interact. energy: -0.330
local terms energy: -277.598588
where:
bonds (distance) C4'-P energy: -57.737
bonds (distance) P-C4' energy: -70.143
flat angles C4'-P-C4' energy: -56.834
flat angles P-C4'-P energy: -38.985
tors. eta vs tors. theta energy: -53.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -719.565165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.565165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.565165 (E_RNA)
where:
Base-Base interactions energy: -464.734
where: short stacking energy: -223.484
Base-Backbone interact. energy: -1.946
local terms energy: -252.884787
where:
bonds (distance) C4'-P energy: -50.695
bonds (distance) P-C4' energy: -55.900
flat angles C4'-P-C4' energy: -46.156
flat angles P-C4'-P energy: -44.838
tors. eta vs tors. theta energy: -55.295
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: 6
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -577.135910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.135910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.135910 (E_RNA)
where:
Base-Base interactions energy: -325.675
where: short stacking energy: -176.712
Base-Backbone interact. energy: 2.035
local terms energy: -253.495028
where:
bonds (distance) C4'-P energy: -58.471
bonds (distance) P-C4' energy: -68.205
flat angles C4'-P-C4' energy: -58.108
flat angles P-C4'-P energy: -31.273
tors. eta vs tors. theta energy: -37.438
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: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -508.199321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.199321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.199321 (E_RNA)
where:
Base-Base interactions energy: -302.052
where: short stacking energy: -144.755
Base-Backbone interact. energy: -0.967
local terms energy: -205.180333
where:
bonds (distance) C4'-P energy: -50.666
bonds (distance) P-C4' energy: -52.969
flat angles C4'-P-C4' energy: -52.642
flat angles P-C4'-P energy: -40.039
tors. eta vs tors. theta energy: -8.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -343.288358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.288358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.288358 (E_RNA)
where:
Base-Base interactions energy: -168.119
where: short stacking energy: -87.182
Base-Backbone interact. energy: 4.574
local terms energy: -179.742686
where:
bonds (distance) C4'-P energy: -55.693
bonds (distance) P-C4' energy: -59.740
flat angles C4'-P-C4' energy: -42.464
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -1.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -290.853366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.853366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.853366 (E_RNA)
where:
Base-Base interactions energy: -114.533
where: short stacking energy: -83.156
Base-Backbone interact. energy: 0.047
local terms energy: -176.367237
where:
bonds (distance) C4'-P energy: -51.780
bonds (distance) P-C4' energy: -57.262
flat angles C4'-P-C4' energy: -37.127
flat angles P-C4'-P energy: -31.143
tors. eta vs tors. theta energy: 0.945
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: 8
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1073.484420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.484420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.484420 (E_RNA)
where:
Base-Base interactions energy: -735.973
where: short stacking energy: -301.664
Base-Backbone interact. energy: -2.728
local terms energy: -334.783541
where:
bonds (distance) C4'-P energy: -57.645
bonds (distance) P-C4' energy: -68.337
flat angles C4'-P-C4' energy: -77.246
flat angles P-C4'-P energy: -52.049
tors. eta vs tors. theta energy: -79.507
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: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1034.079497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.079497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.079497 (E_RNA)
where:
Base-Base interactions energy: -692.261
where: short stacking energy: -282.369
Base-Backbone interact. energy: -0.948
local terms energy: -340.870507
where:
bonds (distance) C4'-P energy: -64.678
bonds (distance) P-C4' energy: -72.705
flat angles C4'-P-C4' energy: -73.773
flat angles P-C4'-P energy: -43.940
tors. eta vs tors. theta energy: -85.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -964.677490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.677490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.677490 (E_RNA)
where:
Base-Base interactions energy: -650.785
where: short stacking energy: -282.419
Base-Backbone interact. energy: 0.548
local terms energy: -314.440454
where:
bonds (distance) C4'-P energy: -65.702
bonds (distance) P-C4' energy: -54.676
flat angles C4'-P-C4' energy: -72.363
flat angles P-C4'-P energy: -39.191
tors. eta vs tors. theta energy: -82.508
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: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -952.076674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.076674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.076674 (E_RNA)
where:
Base-Base interactions energy: -630.809
where: short stacking energy: -279.736
Base-Backbone interact. energy: 0.525
local terms energy: -321.792151
where:
bonds (distance) C4'-P energy: -62.089
bonds (distance) P-C4' energy: -61.337
flat angles C4'-P-C4' energy: -71.663
flat angles P-C4'-P energy: -48.170
tors. eta vs tors. theta energy: -78.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -767.456227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.456227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.456227 (E_RNA)
where:
Base-Base interactions energy: -484.962
where: short stacking energy: -229.340
Base-Backbone interact. energy: -1.172
local terms energy: -281.322329
where:
bonds (distance) C4'-P energy: -66.047
bonds (distance) P-C4' energy: -57.268
flat angles C4'-P-C4' energy: -60.632
flat angles P-C4'-P energy: -43.546
tors. eta vs tors. theta energy: -53.830
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: 6, replica: 2
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -753.474448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.474448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.474448 (E_RNA)
where:
Base-Base interactions energy: -485.067
where: short stacking energy: -231.633
Base-Backbone interact. energy: -0.556
local terms energy: -267.851838
where:
bonds (distance) C4'-P energy: -45.212
bonds (distance) P-C4' energy: -55.205
flat angles C4'-P-C4' energy: -65.169
flat angles P-C4'-P energy: -37.650
tors. eta vs tors. theta energy: -64.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -584.235579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.235579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.235579 (E_RNA)
where:
Base-Base interactions energy: -331.887
where: short stacking energy: -174.356
Base-Backbone interact. energy: -0.694
local terms energy: -251.653966
where:
bonds (distance) C4'-P energy: -59.973
bonds (distance) P-C4' energy: -62.651
flat angles C4'-P-C4' energy: -55.754
flat angles P-C4'-P energy: -37.300
tors. eta vs tors. theta energy: -35.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -441.747694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.747694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.747694 (E_RNA)
where:
Base-Base interactions energy: -233.656
where: short stacking energy: -113.145
Base-Backbone interact. energy: 0.925
local terms energy: -209.017345
where:
bonds (distance) C4'-P energy: -60.850
bonds (distance) P-C4' energy: -58.506
flat angles C4'-P-C4' energy: -54.091
flat angles P-C4'-P energy: -31.534
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -337.367878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.367878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.367878 (E_RNA)
where:
Base-Base interactions energy: -153.997
where: short stacking energy: -108.262
Base-Backbone interact. energy: -1.516
local terms energy: -181.855102
where:
bonds (distance) C4'-P energy: -48.225
bonds (distance) P-C4' energy: -60.765
flat angles C4'-P-C4' energy: -47.201
flat angles P-C4'-P energy: -27.405
tors. eta vs tors. theta energy: 1.741
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: 10, replica: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -258.779112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.779112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.779112 (E_RNA)
where:
Base-Base interactions energy: -70.474
where: short stacking energy: -59.571
Base-Backbone interact. energy: -1.380
local terms energy: -187.355130
where:
bonds (distance) C4'-P energy: -56.937
bonds (distance) P-C4' energy: -64.164
flat angles C4'-P-C4' energy: -46.358
flat angles P-C4'-P energy: -37.118
tors. eta vs tors. theta energy: 17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.429 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1070.313945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.313945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.313945 (E_RNA)
where:
Base-Base interactions energy: -741.163
where: short stacking energy: -287.865
Base-Backbone interact. energy: -2.273
local terms energy: -326.878577
where:
bonds (distance) C4'-P energy: -68.568
bonds (distance) P-C4' energy: -59.546
flat angles C4'-P-C4' energy: -78.527
flat angles P-C4'-P energy: -43.456
tors. eta vs tors. theta energy: -76.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1016.901123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.901123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.901123 (E_RNA)
where:
Base-Base interactions energy: -700.917
where: short stacking energy: -291.835
Base-Backbone interact. energy: -2.595
local terms energy: -313.389710
where:
bonds (distance) C4'-P energy: -58.494
bonds (distance) P-C4' energy: -62.994
flat angles C4'-P-C4' energy: -63.977
flat angles P-C4'-P energy: -45.641
tors. eta vs tors. theta energy: -82.283
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: 4
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -989.423187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.423187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.423187 (E_RNA)
where:
Base-Base interactions energy: -668.854
where: short stacking energy: -279.118
Base-Backbone interact. energy: -2.148
local terms energy: -318.420344
where:
bonds (distance) C4'-P energy: -63.714
bonds (distance) P-C4' energy: -66.300
flat angles C4'-P-C4' energy: -67.798
flat angles P-C4'-P energy: -44.044
tors. eta vs tors. theta energy: -76.564
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: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -958.374183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.374183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.374183 (E_RNA)
where:
Base-Base interactions energy: -629.925
where: short stacking energy: -296.982
Base-Backbone interact. energy: -0.027
local terms energy: -328.421547
where:
bonds (distance) C4'-P energy: -58.035
bonds (distance) P-C4' energy: -59.813
flat angles C4'-P-C4' energy: -71.032
flat angles P-C4'-P energy: -50.689
tors. eta vs tors. theta energy: -88.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -787.712474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.712474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.712474 (E_RNA)
where:
Base-Base interactions energy: -526.246
where: short stacking energy: -238.266
Base-Backbone interact. energy: 4.726
local terms energy: -266.191971
where:
bonds (distance) C4'-P energy: -47.145
bonds (distance) P-C4' energy: -61.083
flat angles C4'-P-C4' energy: -55.231
flat angles P-C4'-P energy: -43.217
tors. eta vs tors. theta energy: -59.516
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: 2
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -708.672556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.672556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.672556 (E_RNA)
where:
Base-Base interactions energy: -447.270
where: short stacking energy: -212.296
Base-Backbone interact. energy: -1.428
local terms energy: -259.974287
where:
bonds (distance) C4'-P energy: -61.313
bonds (distance) P-C4' energy: -55.566
flat angles C4'-P-C4' energy: -59.495
flat angles P-C4'-P energy: -35.844
tors. eta vs tors. theta energy: -47.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -564.585129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.585129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.585129 (E_RNA)
where:
Base-Base interactions energy: -321.818
where: short stacking energy: -151.808
Base-Backbone interact. energy: 2.124
local terms energy: -244.891494
where:
bonds (distance) C4'-P energy: -57.713
bonds (distance) P-C4' energy: -56.946
flat angles C4'-P-C4' energy: -56.439
flat angles P-C4'-P energy: -38.690
tors. eta vs tors. theta energy: -35.105
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: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -418.871513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.871513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.871513 (E_RNA)
where:
Base-Base interactions energy: -215.947
where: short stacking energy: -114.265
Base-Backbone interact. energy: 1.455
local terms energy: -205.439532
where:
bonds (distance) C4'-P energy: -49.330
bonds (distance) P-C4' energy: -64.028
flat angles C4'-P-C4' energy: -54.207
flat angles P-C4'-P energy: -36.721
tors. eta vs tors. theta energy: -1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.060 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -346.346838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.346838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.346838 (E_RNA)
where:
Base-Base interactions energy: -178.873
where: short stacking energy: -106.505
Base-Backbone interact. energy: 3.568
local terms energy: -171.360782
where:
bonds (distance) C4'-P energy: -47.533
bonds (distance) P-C4' energy: -58.304
flat angles C4'-P-C4' energy: -42.629
flat angles P-C4'-P energy: -23.182
tors. eta vs tors. theta energy: 0.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.319 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -282.964444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.964444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.964444 (E_RNA)
where:
Base-Base interactions energy: -100.715
where: short stacking energy: -64.378
Base-Backbone interact. energy: -0.885
local terms energy: -181.364732
where:
bonds (distance) C4'-P energy: -60.946
bonds (distance) P-C4' energy: -47.920
flat angles C4'-P-C4' energy: -49.951
flat angles P-C4'-P energy: -31.726
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: 1, replica: 8
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1092.413541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.413541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.413541 (E_RNA)
where:
Base-Base interactions energy: -763.867
where: short stacking energy: -329.581
Base-Backbone interact. energy: 1.709
local terms energy: -330.255890
where:
bonds (distance) C4'-P energy: -60.871
bonds (distance) P-C4' energy: -72.937
flat angles C4'-P-C4' energy: -68.532
flat angles P-C4'-P energy: -48.652
tors. eta vs tors. theta energy: -79.263
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: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1027.809559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.809559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.809559 (E_RNA)
where:
Base-Base interactions energy: -720.677
where: short stacking energy: -299.717
Base-Backbone interact. energy: 0.811
local terms energy: -307.944156
where:
bonds (distance) C4'-P energy: -64.817
bonds (distance) P-C4' energy: -61.083
flat angles C4'-P-C4' energy: -64.619
flat angles P-C4'-P energy: -29.208
tors. eta vs tors. theta energy: -88.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -984.779695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.779695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.779695 (E_RNA)
where:
Base-Base interactions energy: -674.597
where: short stacking energy: -286.716
Base-Backbone interact. energy: -0.876
local terms energy: -309.306736
where:
bonds (distance) C4'-P energy: -51.344
bonds (distance) P-C4' energy: -59.993
flat angles C4'-P-C4' energy: -65.934
flat angles P-C4'-P energy: -50.877
tors. eta vs tors. theta energy: -81.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -930.479693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.479693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.479693 (E_RNA)
where:
Base-Base interactions energy: -606.611
where: short stacking energy: -277.781
Base-Backbone interact. energy: -0.649
local terms energy: -323.220269
where:
bonds (distance) C4'-P energy: -52.986
bonds (distance) P-C4' energy: -74.135
flat angles C4'-P-C4' energy: -65.237
flat angles P-C4'-P energy: -44.964
tors. eta vs tors. theta energy: -85.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -782.282636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.282636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.282636 (E_RNA)
where:
Base-Base interactions energy: -503.087
where: short stacking energy: -236.606
Base-Backbone interact. energy: -1.452
local terms energy: -277.743785
where:
bonds (distance) C4'-P energy: -58.628
bonds (distance) P-C4' energy: -63.644
flat angles C4'-P-C4' energy: -65.602
flat angles P-C4'-P energy: -31.358
tors. eta vs tors. theta energy: -58.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -682.548383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.548383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.548383 (E_RNA)
where:
Base-Base interactions energy: -437.277
where: short stacking energy: -190.853
Base-Backbone interact. energy: 2.643
local terms energy: -247.913884
where:
bonds (distance) C4'-P energy: -56.702
bonds (distance) P-C4' energy: -61.578
flat angles C4'-P-C4' energy: -54.614
flat angles P-C4'-P energy: -34.934
tors. eta vs tors. theta energy: -40.087
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: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -521.621454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.621454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.621454 (E_RNA)
where:
Base-Base interactions energy: -286.584
where: short stacking energy: -159.417
Base-Backbone interact. energy: -0.120
local terms energy: -234.918155
where:
bonds (distance) C4'-P energy: -48.180
bonds (distance) P-C4' energy: -53.220
flat angles C4'-P-C4' energy: -62.659
flat angles P-C4'-P energy: -42.314
tors. eta vs tors. theta energy: -28.544
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: 8, replica: 1
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -378.382756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.382756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.382756 (E_RNA)
where:
Base-Base interactions energy: -161.382
where: short stacking energy: -113.294
Base-Backbone interact. energy: -0.840
local terms energy: -216.161178
where:
bonds (distance) C4'-P energy: -55.134
bonds (distance) P-C4' energy: -51.361
flat angles C4'-P-C4' energy: -56.593
flat angles P-C4'-P energy: -40.529
tors. eta vs tors. theta energy: -12.545
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: 9, replica: 3
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -358.143925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.143925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.143925 (E_RNA)
where:
Base-Base interactions energy: -190.490
where: short stacking energy: -104.369
Base-Backbone interact. energy: 3.650
local terms energy: -171.614396
where:
bonds (distance) C4'-P energy: -48.672
bonds (distance) P-C4' energy: -59.424
flat angles C4'-P-C4' energy: -36.181
flat angles P-C4'-P energy: -28.997
tors. eta vs tors. theta energy: 1.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.310 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -291.744085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.744085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.744085 (E_RNA)
where:
Base-Base interactions energy: -107.820
where: short stacking energy: -91.296
Base-Backbone interact. energy: 3.564
local terms energy: -187.488325
where:
bonds (distance) C4'-P energy: -66.823
bonds (distance) P-C4' energy: -54.838
flat angles C4'-P-C4' energy: -48.346
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -3.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1081.999812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.999812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.999812 (E_RNA)
where:
Base-Base interactions energy: -746.598
where: short stacking energy: -327.574
Base-Backbone interact. energy: -3.008
local terms energy: -332.394029
where:
bonds (distance) C4'-P energy: -67.598
bonds (distance) P-C4' energy: -68.766
flat angles C4'-P-C4' energy: -69.344
flat angles P-C4'-P energy: -46.742
tors. eta vs tors. theta energy: -79.944
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: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1025.714243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.714243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.714243 (E_RNA)
where:
Base-Base interactions energy: -687.799
where: short stacking energy: -296.802
Base-Backbone interact. energy: -1.514
local terms energy: -336.400793
where:
bonds (distance) C4'-P energy: -52.131
bonds (distance) P-C4' energy: -68.296
flat angles C4'-P-C4' energy: -76.235
flat angles P-C4'-P energy: -46.982
tors. eta vs tors. theta energy: -92.758
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: 4
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1018.561332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.561332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.561332 (E_RNA)
where:
Base-Base interactions energy: -690.579
where: short stacking energy: -306.580
Base-Backbone interact. energy: 0.603
local terms energy: -328.585686
where:
bonds (distance) C4'-P energy: -61.077
bonds (distance) P-C4' energy: -67.302
flat angles C4'-P-C4' energy: -68.612
flat angles P-C4'-P energy: -47.619
tors. eta vs tors. theta energy: -83.975
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: 4, replica: 10
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -938.081569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.081569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.081569 (E_RNA)
where:
Base-Base interactions energy: -633.234
where: short stacking energy: -288.516
Base-Backbone interact. energy: 1.558
local terms energy: -306.405769
where:
bonds (distance) C4'-P energy: -61.230
bonds (distance) P-C4' energy: -46.406
flat angles C4'-P-C4' energy: -69.464
flat angles P-C4'-P energy: -47.481
tors. eta vs tors. theta energy: -81.825
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: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -751.202076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.202076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.202076 (E_RNA)
where:
Base-Base interactions energy: -477.877
where: short stacking energy: -231.674
Base-Backbone interact. energy: -1.310
local terms energy: -272.015511
where:
bonds (distance) C4'-P energy: -53.234
bonds (distance) P-C4' energy: -59.625
flat angles C4'-P-C4' energy: -58.017
flat angles P-C4'-P energy: -44.832
tors. eta vs tors. theta energy: -56.308
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: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -666.878325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.878325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.878325 (E_RNA)
where:
Base-Base interactions energy: -400.057
where: short stacking energy: -186.821
Base-Backbone interact. energy: -0.760
local terms energy: -266.061143
where:
bonds (distance) C4'-P energy: -54.910
bonds (distance) P-C4' energy: -58.803
flat angles C4'-P-C4' energy: -66.663
flat angles P-C4'-P energy: -37.540
tors. eta vs tors. theta energy: -48.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -537.531255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.531255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.531255 (E_RNA)
where:
Base-Base interactions energy: -325.197
where: short stacking energy: -172.049
Base-Backbone interact. energy: -1.280
local terms energy: -211.053701
where:
bonds (distance) C4'-P energy: -53.599
bonds (distance) P-C4' energy: -46.840
flat angles C4'-P-C4' energy: -52.566
flat angles P-C4'-P energy: -36.578
tors. eta vs tors. theta energy: -21.471
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: 8, replica: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -368.021641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.021641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.021641 (E_RNA)
where:
Base-Base interactions energy: -162.986
where: short stacking energy: -100.570
Base-Backbone interact. energy: -1.189
local terms energy: -203.847496
where:
bonds (distance) C4'-P energy: -53.006
bonds (distance) P-C4' energy: -66.853
flat angles C4'-P-C4' energy: -43.315
flat angles P-C4'-P energy: -31.731
tors. eta vs tors. theta energy: -8.943
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: 5
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -301.734874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.734874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.734874 (E_RNA)
where:
Base-Base interactions energy: -120.349
where: short stacking energy: -75.127
Base-Backbone interact. energy: -2.059
local terms energy: -179.326916
where:
bonds (distance) C4'-P energy: -61.951
bonds (distance) P-C4' energy: -58.437
flat angles C4'-P-C4' energy: -48.736
flat angles P-C4'-P energy: -16.178
tors. eta vs tors. theta energy: 5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -334.644684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.644684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.644684 (E_RNA)
where:
Base-Base interactions energy: -169.591
where: short stacking energy: -98.459
Base-Backbone interact. energy: 2.482
local terms energy: -167.535231
where:
bonds (distance) C4'-P energy: -52.101
bonds (distance) P-C4' energy: -51.394
flat angles C4'-P-C4' energy: -38.259
flat angles P-C4'-P energy: -29.784
tors. eta vs tors. theta energy: 4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1066.154024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.154024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.154024 (E_RNA)
where:
Base-Base interactions energy: -721.841
where: short stacking energy: -296.175
Base-Backbone interact. energy: -3.436
local terms energy: -340.877032
where:
bonds (distance) C4'-P energy: -61.852
bonds (distance) P-C4' energy: -68.081
flat angles C4'-P-C4' energy: -76.967
flat angles P-C4'-P energy: -47.414
tors. eta vs tors. theta energy: -86.563
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: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1011.478849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.478849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.478849 (E_RNA)
where:
Base-Base interactions energy: -697.588
where: short stacking energy: -290.304
Base-Backbone interact. energy: -0.805
local terms energy: -313.085906
where:
bonds (distance) C4'-P energy: -64.560
bonds (distance) P-C4' energy: -63.714
flat angles C4'-P-C4' energy: -65.901
flat angles P-C4'-P energy: -40.589
tors. eta vs tors. theta energy: -78.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -966.198728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.198728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.198728 (E_RNA)
where:
Base-Base interactions energy: -664.848
where: short stacking energy: -288.213
Base-Backbone interact. energy: -1.709
local terms energy: -299.640976
where:
bonds (distance) C4'-P energy: -57.575
bonds (distance) P-C4' energy: -59.519
flat angles C4'-P-C4' energy: -69.945
flat angles P-C4'-P energy: -36.125
tors. eta vs tors. theta energy: -76.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -949.671634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.671634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.671634 (E_RNA)
where:
Base-Base interactions energy: -639.515
where: short stacking energy: -293.505
Base-Backbone interact. energy: -1.313
local terms energy: -308.843817
where:
bonds (distance) C4'-P energy: -59.972
bonds (distance) P-C4' energy: -53.024
flat angles C4'-P-C4' energy: -69.934
flat angles P-C4'-P energy: -41.752
tors. eta vs tors. theta energy: -84.162
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: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -800.927527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.927527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.927527 (E_RNA)
where:
Base-Base interactions energy: -529.388
where: short stacking energy: -247.471
Base-Backbone interact. energy: -0.391
local terms energy: -271.149189
where:
bonds (distance) C4'-P energy: -55.100
bonds (distance) P-C4' energy: -48.871
flat angles C4'-P-C4' energy: -58.205
flat angles P-C4'-P energy: -36.059
tors. eta vs tors. theta energy: -72.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -653.016360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.016360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.016360 (E_RNA)
where:
Base-Base interactions energy: -390.655
where: short stacking energy: -199.834
Base-Backbone interact. energy: -0.815
local terms energy: -261.546469
where:
bonds (distance) C4'-P energy: -51.824
bonds (distance) P-C4' energy: -67.322
flat angles C4'-P-C4' energy: -59.193
flat angles P-C4'-P energy: -43.013
tors. eta vs tors. theta energy: -40.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -528.155172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.155172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.155172 (E_RNA)
where:
Base-Base interactions energy: -304.845
where: short stacking energy: -155.696
Base-Backbone interact. energy: -1.925
local terms energy: -221.384804
where:
bonds (distance) C4'-P energy: -57.656
bonds (distance) P-C4' energy: -55.959
flat angles C4'-P-C4' energy: -47.588
flat angles P-C4'-P energy: -24.797
tors. eta vs tors. theta energy: -35.386
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: 8, replica: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -431.968684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.968684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.968684 (E_RNA)
where:
Base-Base interactions energy: -206.362
where: short stacking energy: -132.753
Base-Backbone interact. energy: -1.462
local terms energy: -224.144682
where:
bonds (distance) C4'-P energy: -62.220
bonds (distance) P-C4' energy: -53.300
flat angles C4'-P-C4' energy: -59.542
flat angles P-C4'-P energy: -33.255
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -285.193528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.193528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.193528 (E_RNA)
where:
Base-Base interactions energy: -101.945
where: short stacking energy: -84.875
Base-Backbone interact. energy: -4.261
local terms energy: -178.987733
where:
bonds (distance) C4'-P energy: -54.907
bonds (distance) P-C4' energy: -38.028
flat angles C4'-P-C4' energy: -62.390
flat angles P-C4'-P energy: -29.956
tors. eta vs tors. theta energy: 6.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -324.906067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.906067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.906067 (E_RNA)
where:
Base-Base interactions energy: -145.288
where: short stacking energy: -81.304
Base-Backbone interact. energy: -2.101
local terms energy: -177.520402
where:
bonds (distance) C4'-P energy: -56.379
bonds (distance) P-C4' energy: -56.548
flat angles C4'-P-C4' energy: -34.581
flat angles P-C4'-P energy: -38.239
tors. eta vs tors. theta energy: 8.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.003 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1047.341808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.341808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.341808 (E_RNA)
where:
Base-Base interactions energy: -719.994
where: short stacking energy: -296.902
Base-Backbone interact. energy: 2.016
local terms energy: -329.363541
where:
bonds (distance) C4'-P energy: -63.895
bonds (distance) P-C4' energy: -62.406
flat angles C4'-P-C4' energy: -68.064
flat angles P-C4'-P energy: -50.951
tors. eta vs tors. theta energy: -84.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1026.257543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.257543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.257543 (E_RNA)
where:
Base-Base interactions energy: -684.353
where: short stacking energy: -301.929
Base-Backbone interact. energy: -4.742
local terms energy: -337.162045
where:
bonds (distance) C4'-P energy: -64.618
bonds (distance) P-C4' energy: -61.321
flat angles C4'-P-C4' energy: -73.041
flat angles P-C4'-P energy: -51.515
tors. eta vs tors. theta energy: -86.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -974.192460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.192460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.192460 (E_RNA)
where:
Base-Base interactions energy: -672.852
where: short stacking energy: -280.046
Base-Backbone interact. energy: 0.179
local terms energy: -301.519924
where:
bonds (distance) C4'-P energy: -54.087
bonds (distance) P-C4' energy: -63.975
flat angles C4'-P-C4' energy: -59.838
flat angles P-C4'-P energy: -46.395
tors. eta vs tors. theta energy: -77.224
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: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -947.875092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.875092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.875092 (E_RNA)
where:
Base-Base interactions energy: -627.586
where: short stacking energy: -313.066
Base-Backbone interact. energy: 0.137
local terms energy: -320.425576
where:
bonds (distance) C4'-P energy: -66.482
bonds (distance) P-C4' energy: -54.887
flat angles C4'-P-C4' energy: -70.757
flat angles P-C4'-P energy: -37.335
tors. eta vs tors. theta energy: -90.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -794.134446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.134446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.134446 (E_RNA)
where:
Base-Base interactions energy: -477.228
where: short stacking energy: -235.512
Base-Backbone interact. energy: 0.652
local terms energy: -317.558815
where:
bonds (distance) C4'-P energy: -64.347
bonds (distance) P-C4' energy: -70.493
flat angles C4'-P-C4' energy: -66.154
flat angles P-C4'-P energy: -51.421
tors. eta vs tors. theta energy: -65.144
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: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -720.877366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.877366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.877366 (E_RNA)
where:
Base-Base interactions energy: -459.194
where: short stacking energy: -232.902
Base-Backbone interact. energy: 8.192
local terms energy: -269.875674
where:
bonds (distance) C4'-P energy: -52.174
bonds (distance) P-C4' energy: -52.892
flat angles C4'-P-C4' energy: -58.578
flat angles P-C4'-P energy: -43.630
tors. eta vs tors. theta energy: -62.601
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: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -534.030565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.030565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.030565 (E_RNA)
where:
Base-Base interactions energy: -288.193
where: short stacking energy: -135.522
Base-Backbone interact. energy: -0.753
local terms energy: -245.423159
where:
bonds (distance) C4'-P energy: -55.387
bonds (distance) P-C4' energy: -63.191
flat angles C4'-P-C4' energy: -52.024
flat angles P-C4'-P energy: -34.629
tors. eta vs tors. theta energy: -40.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.339 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -387.739336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.739336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.739336 (E_RNA)
where:
Base-Base interactions energy: -180.397
where: short stacking energy: -116.654
Base-Backbone interact. energy: 0.429
local terms energy: -207.771214
where:
bonds (distance) C4'-P energy: -52.017
bonds (distance) P-C4' energy: -60.371
flat angles C4'-P-C4' energy: -41.509
flat angles P-C4'-P energy: -38.070
tors. eta vs tors. theta energy: -15.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -358.630122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.630122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.630122 (E_RNA)
where:
Base-Base interactions energy: -147.206
where: short stacking energy: -103.795
Base-Backbone interact. energy: -1.153
local terms energy: -210.270672
where:
bonds (distance) C4'-P energy: -58.450
bonds (distance) P-C4' energy: -64.694
flat angles C4'-P-C4' energy: -45.142
flat angles P-C4'-P energy: -35.652
tors. eta vs tors. theta energy: -6.333
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: 10, replica: 5
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -259.987125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.987125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.987125 (E_RNA)
where:
Base-Base interactions energy: -90.286
where: short stacking energy: -89.699
Base-Backbone interact. energy: 2.402
local terms energy: -172.103271
where:
bonds (distance) C4'-P energy: -49.661
bonds (distance) P-C4' energy: -52.696
flat angles C4'-P-C4' energy: -47.296
flat angles P-C4'-P energy: -28.717
tors. eta vs tors. theta energy: 6.267
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: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1072.735200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.735200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.735200 (E_RNA)
where:
Base-Base interactions energy: -735.117
where: short stacking energy: -296.098
Base-Backbone interact. energy: -5.588
local terms energy: -332.030686
where:
bonds (distance) C4'-P energy: -63.928
bonds (distance) P-C4' energy: -61.326
flat angles C4'-P-C4' energy: -67.608
flat angles P-C4'-P energy: -56.364
tors. eta vs tors. theta energy: -82.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1013.304734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.304734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.304734 (E_RNA)
where:
Base-Base interactions energy: -702.783
where: short stacking energy: -292.658
Base-Backbone interact. energy: -1.719
local terms energy: -308.802465
where:
bonds (distance) C4'-P energy: -50.233
bonds (distance) P-C4' energy: -67.116
flat angles C4'-P-C4' energy: -64.715
flat angles P-C4'-P energy: -45.169
tors. eta vs tors. theta energy: -81.570
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: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -974.668069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.668069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.668069 (E_RNA)
where:
Base-Base interactions energy: -636.900
where: short stacking energy: -265.694
Base-Backbone interact. energy: -5.739
local terms energy: -332.028832
where:
bonds (distance) C4'-P energy: -64.180
bonds (distance) P-C4' energy: -68.919
flat angles C4'-P-C4' energy: -69.578
flat angles P-C4'-P energy: -50.313
tors. eta vs tors. theta energy: -79.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -957.092024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.092024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.092024 (E_RNA)
where:
Base-Base interactions energy: -643.936
where: short stacking energy: -287.538
Base-Backbone interact. energy: -0.262
local terms energy: -312.894049
where:
bonds (distance) C4'-P energy: -59.297
bonds (distance) P-C4' energy: -59.096
flat angles C4'-P-C4' energy: -64.818
flat angles P-C4'-P energy: -48.412
tors. eta vs tors. theta energy: -81.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -796.025162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.025162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.025162 (E_RNA)
where:
Base-Base interactions energy: -513.588
where: short stacking energy: -241.559
Base-Backbone interact. energy: 0.807
local terms energy: -283.243277
where:
bonds (distance) C4'-P energy: -50.855
bonds (distance) P-C4' energy: -52.231
flat angles C4'-P-C4' energy: -65.757
flat angles P-C4'-P energy: -42.104
tors. eta vs tors. theta energy: -72.297
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: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -703.946822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.946822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.946822 (E_RNA)
where:
Base-Base interactions energy: -422.023
where: short stacking energy: -199.671
Base-Backbone interact. energy: -2.165
local terms energy: -279.759428
where:
bonds (distance) C4'-P energy: -64.325
bonds (distance) P-C4' energy: -69.482
flat angles C4'-P-C4' energy: -54.983
flat angles P-C4'-P energy: -46.202
tors. eta vs tors. theta energy: -44.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -539.005889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.005889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.005889 (E_RNA)
where:
Base-Base interactions energy: -313.027
where: short stacking energy: -188.263
Base-Backbone interact. energy: 0.135
local terms energy: -226.113187
where:
bonds (distance) C4'-P energy: -53.830
bonds (distance) P-C4' energy: -47.330
flat angles C4'-P-C4' energy: -48.059
flat angles P-C4'-P energy: -32.548
tors. eta vs tors. theta energy: -44.347
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: 8, replica: 3
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -380.624961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.624961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.624961 (E_RNA)
where:
Base-Base interactions energy: -177.052
where: short stacking energy: -115.067
Base-Backbone interact. energy: -2.438
local terms energy: -201.135688
where:
bonds (distance) C4'-P energy: -56.299
bonds (distance) P-C4' energy: -60.863
flat angles C4'-P-C4' energy: -56.040
flat angles P-C4'-P energy: -30.015
tors. eta vs tors. theta energy: 2.082
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: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -359.957360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.957360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.957360 (E_RNA)
where:
Base-Base interactions energy: -166.897
where: short stacking energy: -101.014
Base-Backbone interact. energy: -0.975
local terms energy: -192.490135
where:
bonds (distance) C4'-P energy: -58.116
bonds (distance) P-C4' energy: -63.200
flat angles C4'-P-C4' energy: -33.959
flat angles P-C4'-P energy: -40.559
tors. eta vs tors. theta energy: 3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.404 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -273.618665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.618665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.618665 (E_RNA)
where:
Base-Base interactions energy: -111.524
where: short stacking energy: -74.445
Base-Backbone interact. energy: 1.036
local terms energy: -163.130427
where:
bonds (distance) C4'-P energy: -41.578
bonds (distance) P-C4' energy: -50.462
flat angles C4'-P-C4' energy: -47.284
flat angles P-C4'-P energy: -30.770
tors. eta vs tors. theta energy: 6.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1091.488432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.488432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.488432 (E_RNA)
where:
Base-Base interactions energy: -760.931
where: short stacking energy: -313.998
Base-Backbone interact. energy: -3.580
local terms energy: -326.977240
where:
bonds (distance) C4'-P energy: -68.223
bonds (distance) P-C4' energy: -62.234
flat angles C4'-P-C4' energy: -68.478
flat angles P-C4'-P energy: -49.863
tors. eta vs tors. theta energy: -78.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1012.980918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.980918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.980918 (E_RNA)
where:
Base-Base interactions energy: -684.588
where: short stacking energy: -274.277
Base-Backbone interact. energy: -1.203
local terms energy: -327.189254
where:
bonds (distance) C4'-P energy: -68.155
bonds (distance) P-C4' energy: -64.284
flat angles C4'-P-C4' energy: -74.206
flat angles P-C4'-P energy: -45.800
tors. eta vs tors. theta energy: -74.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -974.291225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.291225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.291225 (E_RNA)
where:
Base-Base interactions energy: -651.001
where: short stacking energy: -282.152
Base-Backbone interact. energy: -1.541
local terms energy: -321.749226
where:
bonds (distance) C4'-P energy: -62.386
bonds (distance) P-C4' energy: -61.581
flat angles C4'-P-C4' energy: -68.104
flat angles P-C4'-P energy: -50.982
tors. eta vs tors. theta energy: -78.697
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: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -989.734492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.734492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.734492 (E_RNA)
where:
Base-Base interactions energy: -654.332
where: short stacking energy: -318.703
Base-Backbone interact. energy: -1.901
local terms energy: -333.502063
where:
bonds (distance) C4'-P energy: -60.394
bonds (distance) P-C4' energy: -61.299
flat angles C4'-P-C4' energy: -67.354
flat angles P-C4'-P energy: -49.178
tors. eta vs tors. theta energy: -95.277
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: 9
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -802.102320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.102320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.102320 (E_RNA)
where:
Base-Base interactions energy: -537.908
where: short stacking energy: -260.296
Base-Backbone interact. energy: -0.705
local terms energy: -263.488646
where:
bonds (distance) C4'-P energy: -49.196
bonds (distance) P-C4' energy: -48.995
flat angles C4'-P-C4' energy: -58.986
flat angles P-C4'-P energy: -34.599
tors. eta vs tors. theta energy: -71.713
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: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -696.426420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.426420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.426420 (E_RNA)
where:
Base-Base interactions energy: -427.057
where: short stacking energy: -215.003
Base-Backbone interact. energy: 3.194
local terms energy: -272.563706
where:
bonds (distance) C4'-P energy: -57.528
bonds (distance) P-C4' energy: -60.173
flat angles C4'-P-C4' energy: -56.486
flat angles P-C4'-P energy: -39.474
tors. eta vs tors. theta energy: -58.903
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: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -536.746797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.746797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.746797 (E_RNA)
where:
Base-Base interactions energy: -281.207
where: short stacking energy: -158.179
Base-Backbone interact. energy: 1.561
local terms energy: -257.100696
where:
bonds (distance) C4'-P energy: -52.579
bonds (distance) P-C4' energy: -62.617
flat angles C4'-P-C4' energy: -55.617
flat angles P-C4'-P energy: -48.543
tors. eta vs tors. theta energy: -37.744
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: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -446.025625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.025625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.025625 (E_RNA)
where:
Base-Base interactions energy: -247.508
where: short stacking energy: -129.703
Base-Backbone interact. energy: -1.724
local terms energy: -199.891916
where:
bonds (distance) C4'-P energy: -60.483
bonds (distance) P-C4' energy: -56.473
flat angles C4'-P-C4' energy: -43.088
flat angles P-C4'-P energy: -37.047
tors. eta vs tors. theta energy: -2.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.098 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -421.138508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.138508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.138508 (E_RNA)
where:
Base-Base interactions energy: -226.327
where: short stacking energy: -101.911
Base-Backbone interact. energy: 5.440
local terms energy: -200.251879
where:
bonds (distance) C4'-P energy: -57.904
bonds (distance) P-C4' energy: -50.999
flat angles C4'-P-C4' energy: -44.000
flat angles P-C4'-P energy: -37.570
tors. eta vs tors. theta energy: -9.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -274.237946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.237946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.237946 (E_RNA)
where:
Base-Base interactions energy: -91.304
where: short stacking energy: -78.921
Base-Backbone interact. energy: 0.496
local terms energy: -183.430401
where:
bonds (distance) C4'-P energy: -52.463
bonds (distance) P-C4' energy: -63.524
flat angles C4'-P-C4' energy: -49.979
flat angles P-C4'-P energy: -28.054
tors. eta vs tors. theta energy: 10.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1095.228865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.228865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.228865 (E_RNA)
where:
Base-Base interactions energy: -738.078
where: short stacking energy: -302.694
Base-Backbone interact. energy: -2.838
local terms energy: -354.312582
where:
bonds (distance) C4'-P energy: -71.579
bonds (distance) P-C4' energy: -70.008
flat angles C4'-P-C4' energy: -79.854
flat angles P-C4'-P energy: -50.988
tors. eta vs tors. theta energy: -81.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1023.791010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.791010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.791010 (E_RNA)
where:
Base-Base interactions energy: -690.562
where: short stacking energy: -320.698
Base-Backbone interact. energy: -0.714
local terms energy: -332.514966
where:
bonds (distance) C4'-P energy: -61.887
bonds (distance) P-C4' energy: -58.690
flat angles C4'-P-C4' energy: -74.312
flat angles P-C4'-P energy: -43.735
tors. eta vs tors. theta energy: -93.891
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: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -981.800116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.800116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.800116 (E_RNA)
where:
Base-Base interactions energy: -665.136
where: short stacking energy: -291.283
Base-Backbone interact. energy: 0.649
local terms energy: -317.985230
where:
bonds (distance) C4'-P energy: -47.833
bonds (distance) P-C4' energy: -68.159
flat angles C4'-P-C4' energy: -69.138
flat angles P-C4'-P energy: -44.312
tors. eta vs tors. theta energy: -88.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.673 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -974.333065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.333065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.333065 (E_RNA)
where:
Base-Base interactions energy: -637.484
where: short stacking energy: -307.929
Base-Backbone interact. energy: -0.105
local terms energy: -336.743774
where:
bonds (distance) C4'-P energy: -66.107
bonds (distance) P-C4' energy: -67.928
flat angles C4'-P-C4' energy: -69.715
flat angles P-C4'-P energy: -43.231
tors. eta vs tors. theta energy: -89.763
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: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -782.375080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.375080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.375080 (E_RNA)
where:
Base-Base interactions energy: -512.756
where: short stacking energy: -263.321
Base-Backbone interact. energy: -0.952
local terms energy: -268.666833
where:
bonds (distance) C4'-P energy: -48.453
bonds (distance) P-C4' energy: -53.821
flat angles C4'-P-C4' energy: -54.263
flat angles P-C4'-P energy: -41.055
tors. eta vs tors. theta energy: -71.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -702.038375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.038375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.038375 (E_RNA)
where:
Base-Base interactions energy: -422.814
where: short stacking energy: -190.852
Base-Backbone interact. energy: -2.050
local terms energy: -277.174885
where:
bonds (distance) C4'-P energy: -63.365
bonds (distance) P-C4' energy: -72.321
flat angles C4'-P-C4' energy: -61.766
flat angles P-C4'-P energy: -39.597
tors. eta vs tors. theta energy: -40.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -551.794207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.794207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.794207 (E_RNA)
where:
Base-Base interactions energy: -298.220
where: short stacking energy: -157.828
Base-Backbone interact. energy: 1.432
local terms energy: -255.006216
where:
bonds (distance) C4'-P energy: -41.167
bonds (distance) P-C4' energy: -66.113
flat angles C4'-P-C4' energy: -57.171
flat angles P-C4'-P energy: -42.413
tors. eta vs tors. theta energy: -48.143
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: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -459.202417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.202417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.202417 (E_RNA)
where:
Base-Base interactions energy: -258.998
where: short stacking energy: -134.298
Base-Backbone interact. energy: -0.481
local terms energy: -199.723584
where:
bonds (distance) C4'-P energy: -45.703
bonds (distance) P-C4' energy: -56.300
flat angles C4'-P-C4' energy: -43.261
flat angles P-C4'-P energy: -32.599
tors. eta vs tors. theta energy: -21.860
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: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -420.585663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.585663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.585663 (E_RNA)
where:
Base-Base interactions energy: -206.594
where: short stacking energy: -118.847
Base-Backbone interact. energy: -0.404
local terms energy: -214.177083
where:
bonds (distance) C4'-P energy: -55.870
bonds (distance) P-C4' energy: -57.148
flat angles C4'-P-C4' energy: -51.065
flat angles P-C4'-P energy: -23.869
tors. eta vs tors. theta energy: -26.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.589 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -256.674726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.674726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.674726 (E_RNA)
where:
Base-Base interactions energy: -80.031
where: short stacking energy: -67.393
Base-Backbone interact. energy: 3.836
local terms energy: -180.479202
where:
bonds (distance) C4'-P energy: -46.265
bonds (distance) P-C4' energy: -53.898
flat angles C4'-P-C4' energy: -63.103
flat angles P-C4'-P energy: -33.246
tors. eta vs tors. theta energy: 16.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1091.476005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.476005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.476005 (E_RNA)
where:
Base-Base interactions energy: -747.981
where: short stacking energy: -315.626
Base-Backbone interact. energy: -4.167
local terms energy: -339.614547
where:
bonds (distance) C4'-P energy: -68.100
bonds (distance) P-C4' energy: -60.080
flat angles C4'-P-C4' energy: -80.723
flat angles P-C4'-P energy: -48.862
tors. eta vs tors. theta energy: -81.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.286 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1002.515142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.515142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.515142 (E_RNA)
where:
Base-Base interactions energy: -660.347
where: short stacking energy: -287.288
Base-Backbone interact. energy: -0.436
local terms energy: -341.731539
where:
bonds (distance) C4'-P energy: -62.215
bonds (distance) P-C4' energy: -71.402
flat angles C4'-P-C4' energy: -65.955
flat angles P-C4'-P energy: -46.798
tors. eta vs tors. theta energy: -95.361
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: 3, replica: 10
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -970.859367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.859367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.859367 (E_RNA)
where:
Base-Base interactions energy: -642.324
where: short stacking energy: -285.520
Base-Backbone interact. energy: -1.203
local terms energy: -327.332742
where:
bonds (distance) C4'-P energy: -65.976
bonds (distance) P-C4' energy: -62.280
flat angles C4'-P-C4' energy: -68.256
flat angles P-C4'-P energy: -45.407
tors. eta vs tors. theta energy: -85.413
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: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -954.785438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.785438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.785438 (E_RNA)
where:
Base-Base interactions energy: -623.749
where: short stacking energy: -283.946
Base-Backbone interact. energy: 1.315
local terms energy: -332.352075
where:
bonds (distance) C4'-P energy: -56.086
bonds (distance) P-C4' energy: -66.827
flat angles C4'-P-C4' energy: -75.662
flat angles P-C4'-P energy: -55.022
tors. eta vs tors. theta energy: -78.755
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: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -738.406965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.406965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.406965 (E_RNA)
where:
Base-Base interactions energy: -475.003
where: short stacking energy: -212.344
Base-Backbone interact. energy: -0.854
local terms energy: -262.549972
where:
bonds (distance) C4'-P energy: -58.779
bonds (distance) P-C4' energy: -60.490
flat angles C4'-P-C4' energy: -61.175
flat angles P-C4'-P energy: -35.016
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: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -749.416197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.416197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.416197 (E_RNA)
where:
Base-Base interactions energy: -483.108
where: short stacking energy: -226.984
Base-Backbone interact. energy: 0.848
local terms energy: -267.156582
where:
bonds (distance) C4'-P energy: -54.152
bonds (distance) P-C4' energy: -58.917
flat angles C4'-P-C4' energy: -63.290
flat angles P-C4'-P energy: -36.142
tors. eta vs tors. theta energy: -54.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -547.783495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.783495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.783495 (E_RNA)
where:
Base-Base interactions energy: -312.699
where: short stacking energy: -160.520
Base-Backbone interact. energy: -0.030
local terms energy: -235.054702
where:
bonds (distance) C4'-P energy: -59.548
bonds (distance) P-C4' energy: -56.074
flat angles C4'-P-C4' energy: -43.570
flat angles P-C4'-P energy: -43.039
tors. eta vs tors. theta energy: -32.823
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: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -495.312070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.312070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.312070 (E_RNA)
where:
Base-Base interactions energy: -285.289
where: short stacking energy: -138.517
Base-Backbone interact. energy: -0.676
local terms energy: -209.347506
where:
bonds (distance) C4'-P energy: -53.796
bonds (distance) P-C4' energy: -54.161
flat angles C4'-P-C4' energy: -41.460
flat angles P-C4'-P energy: -37.863
tors. eta vs tors. theta energy: -22.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -403.103139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.103139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.103139 (E_RNA)
where:
Base-Base interactions energy: -198.425
where: short stacking energy: -110.104
Base-Backbone interact. energy: 5.447
local terms energy: -210.125226
where:
bonds (distance) C4'-P energy: -55.393
bonds (distance) P-C4' energy: -48.009
flat angles C4'-P-C4' energy: -52.567
flat angles P-C4'-P energy: -42.610
tors. eta vs tors. theta energy: -11.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -255.494135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.494135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.494135 (E_RNA)
where:
Base-Base interactions energy: -76.879
where: short stacking energy: -62.259
Base-Backbone interact. energy: -0.807
local terms energy: -177.808387
where:
bonds (distance) C4'-P energy: -49.260
bonds (distance) P-C4' energy: -59.336
flat angles C4'-P-C4' energy: -45.553
flat angles P-C4'-P energy: -34.544
tors. eta vs tors. theta energy: 10.884
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: 1, replica: 8
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1070.498117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.498117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.498117 (E_RNA)
where:
Base-Base interactions energy: -731.122
where: short stacking energy: -309.008
Base-Backbone interact. energy: -1.916
local terms energy: -337.460146
where:
bonds (distance) C4'-P energy: -69.223
bonds (distance) P-C4' energy: -68.358
flat angles C4'-P-C4' energy: -67.922
flat angles P-C4'-P energy: -51.593
tors. eta vs tors. theta energy: -80.363
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: 4
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1007.291221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.291221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.291221 (E_RNA)
where:
Base-Base interactions energy: -685.913
where: short stacking energy: -290.148
Base-Backbone interact. energy: 0.573
local terms energy: -321.950793
where:
bonds (distance) C4'-P energy: -61.024
bonds (distance) P-C4' energy: -65.589
flat angles C4'-P-C4' energy: -70.302
flat angles P-C4'-P energy: -46.712
tors. eta vs tors. theta energy: -78.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -949.907240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.907240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.907240 (E_RNA)
where:
Base-Base interactions energy: -643.618
where: short stacking energy: -279.705
Base-Backbone interact. energy: 0.828
local terms energy: -307.117231
where:
bonds (distance) C4'-P energy: -55.978
bonds (distance) P-C4' energy: -57.239
flat angles C4'-P-C4' energy: -63.284
flat angles P-C4'-P energy: -47.825
tors. eta vs tors. theta energy: -82.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -942.187399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.187399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.187399 (E_RNA)
where:
Base-Base interactions energy: -618.213
where: short stacking energy: -264.420
Base-Backbone interact. energy: -2.625
local terms energy: -321.349776
where:
bonds (distance) C4'-P energy: -61.074
bonds (distance) P-C4' energy: -62.432
flat angles C4'-P-C4' energy: -68.700
flat angles P-C4'-P energy: -50.478
tors. eta vs tors. theta energy: -78.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -721.377856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.377856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.377856 (E_RNA)
where:
Base-Base interactions energy: -461.351
where: short stacking energy: -210.247
Base-Backbone interact. energy: -0.907
local terms energy: -259.120132
where:
bonds (distance) C4'-P energy: -62.041
bonds (distance) P-C4' energy: -66.690
flat angles C4'-P-C4' energy: -52.285
flat angles P-C4'-P energy: -36.629
tors. eta vs tors. theta energy: -41.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -761.960482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.960482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.960482 (E_RNA)
where:
Base-Base interactions energy: -483.805
where: short stacking energy: -227.518
Base-Backbone interact. energy: -0.490
local terms energy: -277.665406
where:
bonds (distance) C4'-P energy: -59.466
bonds (distance) P-C4' energy: -51.795
flat angles C4'-P-C4' energy: -63.358
flat angles P-C4'-P energy: -38.873
tors. eta vs tors. theta energy: -64.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -534.196959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.196959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.196959 (E_RNA)
where:
Base-Base interactions energy: -304.010
where: short stacking energy: -162.316
Base-Backbone interact. energy: -1.220
local terms energy: -228.966556
where:
bonds (distance) C4'-P energy: -56.509
bonds (distance) P-C4' energy: -54.344
flat angles C4'-P-C4' energy: -61.771
flat angles P-C4'-P energy: -32.265
tors. eta vs tors. theta energy: -24.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -481.701921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.701921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.701921 (E_RNA)
where:
Base-Base interactions energy: -263.971
where: short stacking energy: -151.321
Base-Backbone interact. energy: 3.725
local terms energy: -221.455975
where:
bonds (distance) C4'-P energy: -61.121
bonds (distance) P-C4' energy: -53.409
flat angles C4'-P-C4' energy: -52.680
flat angles P-C4'-P energy: -34.107
tors. eta vs tors. theta energy: -20.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -442.800322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.800322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.800322 (E_RNA)
where:
Base-Base interactions energy: -241.033
where: short stacking energy: -127.673
Base-Backbone interact. energy: -0.336
local terms energy: -201.430514
where:
bonds (distance) C4'-P energy: -55.559
bonds (distance) P-C4' energy: -53.400
flat angles C4'-P-C4' energy: -58.757
flat angles P-C4'-P energy: -21.918
tors. eta vs tors. theta energy: -11.796
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: 5
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -260.748715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.748715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.748715 (E_RNA)
where:
Base-Base interactions energy: -90.785
where: short stacking energy: -76.277
Base-Backbone interact. energy: -2.044
local terms energy: -167.920104
where:
bonds (distance) C4'-P energy: -55.437
bonds (distance) P-C4' energy: -44.370
flat angles C4'-P-C4' energy: -46.047
flat angles P-C4'-P energy: -37.359
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: 8
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1088.361789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.361789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.361789 (E_RNA)
where:
Base-Base interactions energy: -761.864
where: short stacking energy: -315.014
Base-Backbone interact. energy: -5.245
local terms energy: -321.252556
where:
bonds (distance) C4'-P energy: -58.937
bonds (distance) P-C4' energy: -60.971
flat angles C4'-P-C4' energy: -68.885
flat angles P-C4'-P energy: -47.468
tors. eta vs tors. theta energy: -84.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1023.126043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.126043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.126043 (E_RNA)
where:
Base-Base interactions energy: -676.629
where: short stacking energy: -308.477
Base-Backbone interact. energy: -3.769
local terms energy: -342.727741
where:
bonds (distance) C4'-P energy: -64.206
bonds (distance) P-C4' energy: -68.375
flat angles C4'-P-C4' energy: -72.310
flat angles P-C4'-P energy: -47.589
tors. eta vs tors. theta energy: -90.248
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: 10
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -974.925609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.925609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.925609 (E_RNA)
where:
Base-Base interactions energy: -640.407
where: short stacking energy: -303.052
Base-Backbone interact. energy: -0.398
local terms energy: -334.120417
where:
bonds (distance) C4'-P energy: -64.780
bonds (distance) P-C4' energy: -66.398
flat angles C4'-P-C4' energy: -68.674
flat angles P-C4'-P energy: -43.650
tors. eta vs tors. theta energy: -90.619
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: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -944.285072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.285072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.285072 (E_RNA)
where:
Base-Base interactions energy: -635.367
where: short stacking energy: -279.889
Base-Backbone interact. energy: -0.800
local terms energy: -308.117940
where:
bonds (distance) C4'-P energy: -53.115
bonds (distance) P-C4' energy: -63.793
flat angles C4'-P-C4' energy: -66.568
flat angles P-C4'-P energy: -44.888
tors. eta vs tors. theta energy: -79.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -747.511687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.511687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.511687 (E_RNA)
where:
Base-Base interactions energy: -470.552
where: short stacking energy: -207.847
Base-Backbone interact. energy: -1.261
local terms energy: -275.699155
where:
bonds (distance) C4'-P energy: -63.894
bonds (distance) P-C4' energy: -61.549
flat angles C4'-P-C4' energy: -62.630
flat angles P-C4'-P energy: -33.976
tors. eta vs tors. theta energy: -53.650
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: 6, replica: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -680.968725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.968725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.968725 (E_RNA)
where:
Base-Base interactions energy: -419.683
where: short stacking energy: -207.334
Base-Backbone interact. energy: -1.814
local terms energy: -259.472390
where:
bonds (distance) C4'-P energy: -58.066
bonds (distance) P-C4' energy: -64.573
flat angles C4'-P-C4' energy: -61.338
flat angles P-C4'-P energy: -32.014
tors. eta vs tors. theta energy: -43.481
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: 7, replica: 6
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -548.645287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.645287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.645287 (E_RNA)
where:
Base-Base interactions energy: -322.452
where: short stacking energy: -169.313
Base-Backbone interact. energy: -0.661
local terms energy: -225.531924
where:
bonds (distance) C4'-P energy: -51.874
bonds (distance) P-C4' energy: -66.165
flat angles C4'-P-C4' energy: -47.481
flat angles P-C4'-P energy: -26.234
tors. eta vs tors. theta energy: -33.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -426.517582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.517582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.517582 (E_RNA)
where:
Base-Base interactions energy: -232.976
where: short stacking energy: -123.165
Base-Backbone interact. energy: -1.021
local terms energy: -193.541365
where:
bonds (distance) C4'-P energy: -47.994
bonds (distance) P-C4' energy: -51.181
flat angles C4'-P-C4' energy: -59.664
flat angles P-C4'-P energy: -22.892
tors. eta vs tors. theta energy: -11.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.021 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -309.844872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.844872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.844872 (E_RNA)
where:
Base-Base interactions energy: -110.890
where: short stacking energy: -83.100
Base-Backbone interact. energy: -2.296
local terms energy: -196.659096
where:
bonds (distance) C4'-P energy: -52.555
bonds (distance) P-C4' energy: -65.319
flat angles C4'-P-C4' energy: -52.991
flat angles P-C4'-P energy: -30.907
tors. eta vs tors. theta energy: 5.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -383.997325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.997325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.997325 (E_RNA)
where:
Base-Base interactions energy: -190.375
where: short stacking energy: -108.991
Base-Backbone interact. energy: 1.038
local terms energy: -194.660266
where:
bonds (distance) C4'-P energy: -48.345
bonds (distance) P-C4' energy: -62.069
flat angles C4'-P-C4' energy: -55.333
flat angles P-C4'-P energy: -26.756
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: 1, replica: 8
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1061.035366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.035366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.035366 (E_RNA)
where:
Base-Base interactions energy: -732.466
where: short stacking energy: -312.610
Base-Backbone interact. energy: -1.780
local terms energy: -326.789594
where:
bonds (distance) C4'-P energy: -67.545
bonds (distance) P-C4' energy: -67.407
flat angles C4'-P-C4' energy: -73.911
flat angles P-C4'-P energy: -41.990
tors. eta vs tors. theta energy: -75.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1012.349335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.349335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.349335 (E_RNA)
where:
Base-Base interactions energy: -699.528
where: short stacking energy: -305.236
Base-Backbone interact. energy: -1.083
local terms energy: -311.737931
where:
bonds (distance) C4'-P energy: -61.250
bonds (distance) P-C4' energy: -58.994
flat angles C4'-P-C4' energy: -60.530
flat angles P-C4'-P energy: -37.708
tors. eta vs tors. theta energy: -93.257
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: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -968.783652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.783652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.783652 (E_RNA)
where:
Base-Base interactions energy: -641.817
where: short stacking energy: -318.922
Base-Backbone interact. energy: -0.071
local terms energy: -326.895393
where:
bonds (distance) C4'-P energy: -58.513
bonds (distance) P-C4' energy: -55.265
flat angles C4'-P-C4' energy: -67.141
flat angles P-C4'-P energy: -50.178
tors. eta vs tors. theta energy: -95.799
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: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -909.697246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.697246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.697246 (E_RNA)
where:
Base-Base interactions energy: -622.273
where: short stacking energy: -246.329
Base-Backbone interact. energy: -1.210
local terms energy: -286.214071
where:
bonds (distance) C4'-P energy: -62.237
bonds (distance) P-C4' energy: -60.626
flat angles C4'-P-C4' energy: -63.755
flat angles P-C4'-P energy: -33.414
tors. eta vs tors. theta energy: -66.182
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: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -732.439282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.439282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.439282 (E_RNA)
where:
Base-Base interactions energy: -463.837
where: short stacking energy: -204.901
Base-Backbone interact. energy: 0.788
local terms energy: -269.390715
where:
bonds (distance) C4'-P energy: -55.919
bonds (distance) P-C4' energy: -50.052
flat angles C4'-P-C4' energy: -67.958
flat angles P-C4'-P energy: -45.954
tors. eta vs tors. theta energy: -49.508
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: 6, replica: 2
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -693.794535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.794535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.794535 (E_RNA)
where:
Base-Base interactions energy: -431.558
where: short stacking energy: -189.344
Base-Backbone interact. energy: -0.883
local terms energy: -261.352734
where:
bonds (distance) C4'-P energy: -55.946
bonds (distance) P-C4' energy: -55.210
flat angles C4'-P-C4' energy: -63.716
flat angles P-C4'-P energy: -44.148
tors. eta vs tors. theta energy: -42.334
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: 6
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -549.651523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.651523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.651523 (E_RNA)
where:
Base-Base interactions energy: -312.128
where: short stacking energy: -152.059
Base-Backbone interact. energy: 0.008
local terms energy: -237.532390
where:
bonds (distance) C4'-P energy: -55.060
bonds (distance) P-C4' energy: -54.149
flat angles C4'-P-C4' energy: -64.587
flat angles P-C4'-P energy: -35.792
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: 8, replica: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -439.969425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.969425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.969425 (E_RNA)
where:
Base-Base interactions energy: -238.490
where: short stacking energy: -126.090
Base-Backbone interact. energy: -1.175
local terms energy: -200.304254
where:
bonds (distance) C4'-P energy: -47.946
bonds (distance) P-C4' energy: -56.972
flat angles C4'-P-C4' energy: -51.460
flat angles P-C4'-P energy: -21.490
tors. eta vs tors. theta energy: -22.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -319.202269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.202269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.202269 (E_RNA)
where:
Base-Base interactions energy: -129.864
where: short stacking energy: -96.406
Base-Backbone interact. energy: 0.136
local terms energy: -189.475037
where:
bonds (distance) C4'-P energy: -47.181
bonds (distance) P-C4' energy: -51.431
flat angles C4'-P-C4' energy: -44.374
flat angles P-C4'-P energy: -44.569
tors. eta vs tors. theta energy: -1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -390.993348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.993348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.993348 (E_RNA)
where:
Base-Base interactions energy: -206.052
where: short stacking energy: -120.944
Base-Backbone interact. energy: -1.767
local terms energy: -183.174399
where:
bonds (distance) C4'-P energy: -38.251
bonds (distance) P-C4' energy: -56.978
flat angles C4'-P-C4' energy: -59.179
flat angles P-C4'-P energy: -23.854
tors. eta vs tors. theta energy: -4.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1028.305033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.305033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.305033 (E_RNA)
where:
Base-Base interactions energy: -687.302
where: short stacking energy: -295.700
Base-Backbone interact. energy: 0.600
local terms energy: -341.603096
where:
bonds (distance) C4'-P energy: -64.243
bonds (distance) P-C4' energy: -71.172
flat angles C4'-P-C4' energy: -67.467
flat angles P-C4'-P energy: -57.419
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: 2, replica: 8
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1038.182710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.182710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.182710 (E_RNA)
where:
Base-Base interactions energy: -735.608
where: short stacking energy: -305.954
Base-Backbone interact. energy: -0.413
local terms energy: -302.161699
where:
bonds (distance) C4'-P energy: -61.330
bonds (distance) P-C4' energy: -51.112
flat angles C4'-P-C4' energy: -64.807
flat angles P-C4'-P energy: -48.079
tors. eta vs tors. theta energy: -76.833
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: 3, replica: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -989.252896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.252896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.252896 (E_RNA)
where:
Base-Base interactions energy: -655.791
where: short stacking energy: -287.134
Base-Backbone interact. energy: 0.590
local terms energy: -334.051702
where:
bonds (distance) C4'-P energy: -64.378
bonds (distance) P-C4' energy: -71.168
flat angles C4'-P-C4' energy: -66.688
flat angles P-C4'-P energy: -46.491
tors. eta vs tors. theta energy: -85.326
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: 4, replica: 7
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -952.869824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.869824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.869824 (E_RNA)
where:
Base-Base interactions energy: -628.905
where: short stacking energy: -275.865
Base-Backbone interact. energy: -3.161
local terms energy: -320.803401
where:
bonds (distance) C4'-P energy: -59.675
bonds (distance) P-C4' energy: -63.691
flat angles C4'-P-C4' energy: -68.509
flat angles P-C4'-P energy: -53.463
tors. eta vs tors. theta energy: -75.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -784.015112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.015112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.015112 (E_RNA)
where:
Base-Base interactions energy: -491.318
where: short stacking energy: -214.383
Base-Backbone interact. energy: 0.193
local terms energy: -292.889630
where:
bonds (distance) C4'-P energy: -60.896
bonds (distance) P-C4' energy: -66.151
flat angles C4'-P-C4' energy: -65.078
flat angles P-C4'-P energy: -46.898
tors. eta vs tors. theta energy: -53.867
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: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -726.712517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.712517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.712517 (E_RNA)
where:
Base-Base interactions energy: -452.481
where: short stacking energy: -213.785
Base-Backbone interact. energy: 0.321
local terms energy: -274.553090
where:
bonds (distance) C4'-P energy: -57.799
bonds (distance) P-C4' energy: -54.849
flat angles C4'-P-C4' energy: -67.454
flat angles P-C4'-P energy: -37.582
tors. eta vs tors. theta energy: -56.869
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: 7, replica: 6
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -531.244550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.244550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.244550 (E_RNA)
where:
Base-Base interactions energy: -284.937
where: short stacking energy: -141.510
Base-Backbone interact. energy: -1.683
local terms energy: -244.625224
where:
bonds (distance) C4'-P energy: -63.209
bonds (distance) P-C4' energy: -52.112
flat angles C4'-P-C4' energy: -70.384
flat angles P-C4'-P energy: -30.922
tors. eta vs tors. theta energy: -27.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -483.487710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.487710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.487710 (E_RNA)
where:
Base-Base interactions energy: -268.379
where: short stacking energy: -135.971
Base-Backbone interact. energy: 1.605
local terms energy: -216.713328
where:
bonds (distance) C4'-P energy: -39.086
bonds (distance) P-C4' energy: -55.455
flat angles C4'-P-C4' energy: -62.932
flat angles P-C4'-P energy: -28.624
tors. eta vs tors. theta energy: -30.616
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: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -341.552100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.552100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.552100 (E_RNA)
where:
Base-Base interactions energy: -146.944
where: short stacking energy: -85.394
Base-Backbone interact. energy: -1.288
local terms energy: -193.320613
where:
bonds (distance) C4'-P energy: -49.704
bonds (distance) P-C4' energy: -63.637
flat angles C4'-P-C4' energy: -46.059
flat angles P-C4'-P energy: -38.154
tors. eta vs tors. theta energy: 4.234
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: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -264.927021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.927021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.927021 (E_RNA)
where:
Base-Base interactions energy: -83.894
where: short stacking energy: -77.016
Base-Backbone interact. energy: -0.355
local terms energy: -180.677160
where:
bonds (distance) C4'-P energy: -52.227
bonds (distance) P-C4' energy: -61.414
flat angles C4'-P-C4' energy: -44.710
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: 12.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1022.770201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.770201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.770201 (E_RNA)
where:
Base-Base interactions energy: -700.845
where: short stacking energy: -311.618
Base-Backbone interact. energy: -0.620
local terms energy: -321.305619
where:
bonds (distance) C4'-P energy: -53.894
bonds (distance) P-C4' energy: -66.790
flat angles C4'-P-C4' energy: -67.296
flat angles P-C4'-P energy: -43.501
tors. eta vs tors. theta energy: -89.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1015.726923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.726923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.726923 (E_RNA)
where:
Base-Base interactions energy: -671.693
where: short stacking energy: -317.325
Base-Backbone interact. energy: 2.971
local terms energy: -347.004218
where:
bonds (distance) C4'-P energy: -65.026
bonds (distance) P-C4' energy: -63.117
flat angles C4'-P-C4' energy: -74.311
flat angles P-C4'-P energy: -58.315
tors. eta vs tors. theta energy: -86.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1029.085998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.085998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.085998 (E_RNA)
where:
Base-Base interactions energy: -692.935
where: short stacking energy: -296.020
Base-Backbone interact. energy: 2.004
local terms energy: -338.757406
where:
bonds (distance) C4'-P energy: -64.593
bonds (distance) P-C4' energy: -67.312
flat angles C4'-P-C4' energy: -74.485
flat angles P-C4'-P energy: -45.103
tors. eta vs tors. theta energy: -87.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.603 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -938.857771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.857771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.857771 (E_RNA)
where:
Base-Base interactions energy: -639.594
where: short stacking energy: -262.055
Base-Backbone interact. energy: -2.098
local terms energy: -297.166125
where:
bonds (distance) C4'-P energy: -49.118
bonds (distance) P-C4' energy: -64.303
flat angles C4'-P-C4' energy: -64.341
flat angles P-C4'-P energy: -47.789
tors. eta vs tors. theta energy: -71.615
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: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -790.217299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.217299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.217299 (E_RNA)
where:
Base-Base interactions energy: -499.640
where: short stacking energy: -242.645
Base-Backbone interact. energy: -0.358
local terms energy: -290.218979
where:
bonds (distance) C4'-P energy: -65.359
bonds (distance) P-C4' energy: -53.747
flat angles C4'-P-C4' energy: -68.409
flat angles P-C4'-P energy: -41.463
tors. eta vs tors. theta energy: -61.241
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: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -735.617861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.617861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.617861 (E_RNA)
where:
Base-Base interactions energy: -453.705
where: short stacking energy: -225.195
Base-Backbone interact. energy: -0.192
local terms energy: -281.721128
where:
bonds (distance) C4'-P energy: -53.923
bonds (distance) P-C4' energy: -62.513
flat angles C4'-P-C4' energy: -69.546
flat angles P-C4'-P energy: -38.562
tors. eta vs tors. theta energy: -57.176
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: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -546.810368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.810368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.810368 (E_RNA)
where:
Base-Base interactions energy: -317.394
where: short stacking energy: -174.832
Base-Backbone interact. energy: 3.163
local terms energy: -232.579744
where:
bonds (distance) C4'-P energy: -50.433
bonds (distance) P-C4' energy: -51.701
flat angles C4'-P-C4' energy: -57.953
flat angles P-C4'-P energy: -34.637
tors. eta vs tors. theta energy: -37.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -440.348593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.348593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.348593 (E_RNA)
where:
Base-Base interactions energy: -239.012
where: short stacking energy: -138.660
Base-Backbone interact. energy: -0.994
local terms energy: -200.342435
where:
bonds (distance) C4'-P energy: -41.228
bonds (distance) P-C4' energy: -51.023
flat angles C4'-P-C4' energy: -54.197
flat angles P-C4'-P energy: -38.533
tors. eta vs tors. theta energy: -15.362
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: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -347.933516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.933516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.933516 (E_RNA)
where:
Base-Base interactions energy: -173.155
where: short stacking energy: -113.008
Base-Backbone interact. energy: 0.624
local terms energy: -178.831558
where:
bonds (distance) C4'-P energy: -59.995
bonds (distance) P-C4' energy: -56.405
flat angles C4'-P-C4' energy: -41.308
flat angles P-C4'-P energy: -24.934
tors. eta vs tors. theta energy: 3.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.429 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -271.470007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.470007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.470007 (E_RNA)
where:
Base-Base interactions energy: -102.524
where: short stacking energy: -93.803
Base-Backbone interact. energy: 0.298
local terms energy: -169.243701
where:
bonds (distance) C4'-P energy: -46.956
bonds (distance) P-C4' energy: -51.933
flat angles C4'-P-C4' energy: -54.042
flat angles P-C4'-P energy: -27.938
tors. eta vs tors. theta energy: 11.625
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: 10
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1019.574845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.574845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.574845 (E_RNA)
where:
Base-Base interactions energy: -681.550
where: short stacking energy: -298.259
Base-Backbone interact. energy: -1.256
local terms energy: -336.768781
where:
bonds (distance) C4'-P energy: -59.146
bonds (distance) P-C4' energy: -64.219
flat angles C4'-P-C4' energy: -76.534
flat angles P-C4'-P energy: -48.902
tors. eta vs tors. theta energy: -87.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1003.342326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.342326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.342326 (E_RNA)
where:
Base-Base interactions energy: -680.312
where: short stacking energy: -294.798
Base-Backbone interact. energy: 0.536
local terms energy: -323.565688
where:
bonds (distance) C4'-P energy: -55.084
bonds (distance) P-C4' energy: -59.403
flat angles C4'-P-C4' energy: -69.131
flat angles P-C4'-P energy: -53.456
tors. eta vs tors. theta energy: -86.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -993.312034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.312034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.312034 (E_RNA)
where:
Base-Base interactions energy: -691.848
where: short stacking energy: -290.178
Base-Backbone interact. energy: 2.025
local terms energy: -303.867742
where:
bonds (distance) C4'-P energy: -61.397
bonds (distance) P-C4' energy: -49.739
flat angles C4'-P-C4' energy: -71.311
flat angles P-C4'-P energy: -43.593
tors. eta vs tors. theta energy: -77.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.379 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -903.393521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.393521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.393521 (E_RNA)
where:
Base-Base interactions energy: -617.078
where: short stacking energy: -232.903
Base-Backbone interact. energy: 1.687
local terms energy: -288.046056
where:
bonds (distance) C4'-P energy: -57.857
bonds (distance) P-C4' energy: -59.547
flat angles C4'-P-C4' energy: -63.808
flat angles P-C4'-P energy: -48.191
tors. eta vs tors. theta energy: -58.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.044 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -791.381567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.381567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.381567 (E_RNA)
where:
Base-Base interactions energy: -495.744
where: short stacking energy: -231.386
Base-Backbone interact. energy: -1.260
local terms energy: -294.377176
where:
bonds (distance) C4'-P energy: -66.400
bonds (distance) P-C4' energy: -70.821
flat angles C4'-P-C4' energy: -49.883
flat angles P-C4'-P energy: -41.389
tors. eta vs tors. theta energy: -65.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -733.465553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.465553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.465553 (E_RNA)
where:
Base-Base interactions energy: -468.432
where: short stacking energy: -209.581
Base-Backbone interact. energy: -2.109
local terms energy: -262.923668
where:
bonds (distance) C4'-P energy: -52.831
bonds (distance) P-C4' energy: -64.453
flat angles C4'-P-C4' energy: -58.396
flat angles P-C4'-P energy: -44.786
tors. eta vs tors. theta energy: -42.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -528.863025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.863025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.863025 (E_RNA)
where:
Base-Base interactions energy: -304.985
where: short stacking energy: -132.896
Base-Backbone interact. energy: -0.702
local terms energy: -223.176563
where:
bonds (distance) C4'-P energy: -50.286
bonds (distance) P-C4' energy: -55.163
flat angles C4'-P-C4' energy: -54.802
flat angles P-C4'-P energy: -38.725
tors. eta vs tors. theta energy: -24.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -446.539492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.539492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.539492 (E_RNA)
where:
Base-Base interactions energy: -240.814
where: short stacking energy: -125.106
Base-Backbone interact. energy: 1.420
local terms energy: -207.144593
where:
bonds (distance) C4'-P energy: -47.927
bonds (distance) P-C4' energy: -52.638
flat angles C4'-P-C4' energy: -62.473
flat angles P-C4'-P energy: -28.737
tors. eta vs tors. theta energy: -15.369
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: 3
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -345.229347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.229347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.229347 (E_RNA)
where:
Base-Base interactions energy: -154.353
where: short stacking energy: -107.090
Base-Backbone interact. energy: 2.400
local terms energy: -193.640114
where:
bonds (distance) C4'-P energy: -46.721
bonds (distance) P-C4' energy: -58.790
flat angles C4'-P-C4' energy: -53.992
flat angles P-C4'-P energy: -24.911
tors. eta vs tors. theta energy: -9.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.364 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -269.089707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.089707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.089707 (E_RNA)
where:
Base-Base interactions energy: -77.547
where: short stacking energy: -69.464
Base-Backbone interact. energy: 1.286
local terms energy: -192.828336
where:
bonds (distance) C4'-P energy: -59.174
bonds (distance) P-C4' energy: -68.397
flat angles C4'-P-C4' energy: -38.582
flat angles P-C4'-P energy: -34.591
tors. eta vs tors. theta energy: 7.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1019.873960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.873960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.873960 (E_RNA)
where:
Base-Base interactions energy: -683.112
where: short stacking energy: -300.701
Base-Backbone interact. energy: -0.590
local terms energy: -336.171288
where:
bonds (distance) C4'-P energy: -68.058
bonds (distance) P-C4' energy: -66.597
flat angles C4'-P-C4' energy: -64.984
flat angles P-C4'-P energy: -56.636
tors. eta vs tors. theta energy: -79.896
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: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1013.538602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.538602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.538602 (E_RNA)
where:
Base-Base interactions energy: -688.041
where: short stacking energy: -282.262
Base-Backbone interact. energy: -3.261
local terms energy: -322.236654
where:
bonds (distance) C4'-P energy: -56.813
bonds (distance) P-C4' energy: -66.606
flat angles C4'-P-C4' energy: -76.518
flat angles P-C4'-P energy: -46.717
tors. eta vs tors. theta energy: -75.582
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: 4
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1001.357667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.357667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.357667 (E_RNA)
where:
Base-Base interactions energy: -665.516
where: short stacking energy: -286.421
Base-Backbone interact. energy: -1.314
local terms energy: -334.527418
where:
bonds (distance) C4'-P energy: -68.803
bonds (distance) P-C4' energy: -67.220
flat angles C4'-P-C4' energy: -71.186
flat angles P-C4'-P energy: -41.294
tors. eta vs tors. theta energy: -86.023
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: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -930.206387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.206387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.206387 (E_RNA)
where:
Base-Base interactions energy: -643.582
where: short stacking energy: -276.842
Base-Backbone interact. energy: -1.296
local terms energy: -285.723702
where:
bonds (distance) C4'-P energy: -56.093
bonds (distance) P-C4' energy: -59.385
flat angles C4'-P-C4' energy: -60.180
flat angles P-C4'-P energy: -37.581
tors. eta vs tors. theta energy: -72.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.394 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -777.020504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.020504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.020504 (E_RNA)
where:
Base-Base interactions energy: -492.618
where: short stacking energy: -239.473
Base-Backbone interact. energy: 0.242
local terms energy: -284.644582
where:
bonds (distance) C4'-P energy: -58.536
bonds (distance) P-C4' energy: -58.939
flat angles C4'-P-C4' energy: -61.100
flat angles P-C4'-P energy: -41.566
tors. eta vs tors. theta energy: -64.504
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: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -740.875933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.875933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.875933 (E_RNA)
where:
Base-Base interactions energy: -479.383
where: short stacking energy: -233.204
Base-Backbone interact. energy: -0.873
local terms energy: -260.619539
where:
bonds (distance) C4'-P energy: -58.160
bonds (distance) P-C4' energy: -60.718
flat angles C4'-P-C4' energy: -62.422
flat angles P-C4'-P energy: -30.044
tors. eta vs tors. theta energy: -49.276
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: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -620.038690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.038690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.038690 (E_RNA)
where:
Base-Base interactions energy: -372.171
where: short stacking energy: -200.998
Base-Backbone interact. energy: -0.768
local terms energy: -247.099404
where:
bonds (distance) C4'-P energy: -51.541
bonds (distance) P-C4' energy: -58.354
flat angles C4'-P-C4' energy: -61.736
flat angles P-C4'-P energy: -31.524
tors. eta vs tors. theta energy: -43.944
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: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -436.090511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.090511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.090511 (E_RNA)
where:
Base-Base interactions energy: -215.751
where: short stacking energy: -121.343
Base-Backbone interact. energy: -0.806
local terms energy: -219.533853
where:
bonds (distance) C4'-P energy: -68.764
bonds (distance) P-C4' energy: -50.850
flat angles C4'-P-C4' energy: -57.286
flat angles P-C4'-P energy: -31.938
tors. eta vs tors. theta energy: -10.695
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: 3
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -320.186329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.186329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.186329 (E_RNA)
where:
Base-Base interactions energy: -153.056
where: short stacking energy: -99.471
Base-Backbone interact. energy: 2.659
local terms energy: -169.788813
where:
bonds (distance) C4'-P energy: -40.431
bonds (distance) P-C4' energy: -51.082
flat angles C4'-P-C4' energy: -59.678
flat angles P-C4'-P energy: -22.929
tors. eta vs tors. theta energy: 4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -278.499473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.499473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.499473 (E_RNA)
where:
Base-Base interactions energy: -109.357
where: short stacking energy: -82.138
Base-Backbone interact. energy: -0.336
local terms energy: -168.806283
where:
bonds (distance) C4'-P energy: -32.928
bonds (distance) P-C4' energy: -64.434
flat angles C4'-P-C4' energy: -47.131
flat angles P-C4'-P energy: -37.368
tors. eta vs tors. theta energy: 13.055
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: 1, replica: 10
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1007.479792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.479792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.479792 (E_RNA)
where:
Base-Base interactions energy: -676.757
where: short stacking energy: -294.961
Base-Backbone interact. energy: -1.035
local terms energy: -329.687698
where:
bonds (distance) C4'-P energy: -56.466
bonds (distance) P-C4' energy: -69.521
flat angles C4'-P-C4' energy: -63.009
flat angles P-C4'-P energy: -51.261
tors. eta vs tors. theta energy: -89.431
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: 2, replica: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1018.097172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.097172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.097172 (E_RNA)
where:
Base-Base interactions energy: -704.581
where: short stacking energy: -301.468
Base-Backbone interact. energy: -1.682
local terms energy: -311.834777
where:
bonds (distance) C4'-P energy: -61.567
bonds (distance) P-C4' energy: -56.338
flat angles C4'-P-C4' energy: -74.696
flat angles P-C4'-P energy: -49.417
tors. eta vs tors. theta energy: -69.816
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: 3, replica: 4
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -961.941776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.941776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.941776 (E_RNA)
where:
Base-Base interactions energy: -630.783
where: short stacking energy: -288.033
Base-Backbone interact. energy: -0.923
local terms energy: -330.236366
where:
bonds (distance) C4'-P energy: -61.901
bonds (distance) P-C4' energy: -74.966
flat angles C4'-P-C4' energy: -65.836
flat angles P-C4'-P energy: -47.106
tors. eta vs tors. theta energy: -80.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -957.398314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.398314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.398314 (E_RNA)
where:
Base-Base interactions energy: -666.756
where: short stacking energy: -282.788
Base-Backbone interact. energy: 5.681
local terms energy: -296.323010
where:
bonds (distance) C4'-P energy: -52.047
bonds (distance) P-C4' energy: -54.866
flat angles C4'-P-C4' energy: -64.920
flat angles P-C4'-P energy: -44.766
tors. eta vs tors. theta energy: -79.723
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: 2
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -794.355084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.355084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.355084 (E_RNA)
where:
Base-Base interactions energy: -488.441
where: short stacking energy: -241.735
Base-Backbone interact. energy: -0.816
local terms energy: -305.097995
where:
bonds (distance) C4'-P energy: -58.068
bonds (distance) P-C4' energy: -60.377
flat angles C4'-P-C4' energy: -69.584
flat angles P-C4'-P energy: -52.212
tors. eta vs tors. theta energy: -64.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -733.351369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.351369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.351369 (E_RNA)
where:
Base-Base interactions energy: -451.100
where: short stacking energy: -205.157
Base-Backbone interact. energy: -2.798
local terms energy: -279.453678
where:
bonds (distance) C4'-P energy: -50.842
bonds (distance) P-C4' energy: -65.628
flat angles C4'-P-C4' energy: -66.425
flat angles P-C4'-P energy: -40.415
tors. eta vs tors. theta energy: -56.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -606.533024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.533024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.533024 (E_RNA)
where:
Base-Base interactions energy: -344.368
where: short stacking energy: -174.034
Base-Backbone interact. energy: -2.981
local terms energy: -259.183536
where:
bonds (distance) C4'-P energy: -62.339
bonds (distance) P-C4' energy: -59.501
flat angles C4'-P-C4' energy: -63.704
flat angles P-C4'-P energy: -32.947
tors. eta vs tors. theta energy: -40.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -423.260632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.260632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.260632 (E_RNA)
where:
Base-Base interactions energy: -236.348
where: short stacking energy: -131.572
Base-Backbone interact. energy: 2.854
local terms energy: -189.766373
where:
bonds (distance) C4'-P energy: -57.335
bonds (distance) P-C4' energy: -57.669
flat angles C4'-P-C4' energy: -51.126
flat angles P-C4'-P energy: -29.101
tors. eta vs tors. theta energy: 5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -361.361158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.361158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.361158 (E_RNA)
where:
Base-Base interactions energy: -163.795
where: short stacking energy: -103.686
Base-Backbone interact. energy: 1.491
local terms energy: -199.057352
where:
bonds (distance) C4'-P energy: -50.740
bonds (distance) P-C4' energy: -53.649
flat angles C4'-P-C4' energy: -55.785
flat angles P-C4'-P energy: -38.091
tors. eta vs tors. theta energy: -0.793
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: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -276.823456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.823456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.823456 (E_RNA)
where:
Base-Base interactions energy: -98.903
where: short stacking energy: -80.069
Base-Backbone interact. energy: 1.215
local terms energy: -179.135546
where:
bonds (distance) C4'-P energy: -47.630
bonds (distance) P-C4' energy: -56.323
flat angles C4'-P-C4' energy: -42.931
flat angles P-C4'-P energy: -37.748
tors. eta vs tors. theta energy: 5.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1012.342653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.342653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.342653 (E_RNA)
where:
Base-Base interactions energy: -690.658
where: short stacking energy: -306.091
Base-Backbone interact. energy: -0.807
local terms energy: -320.877631
where:
bonds (distance) C4'-P energy: -62.474
bonds (distance) P-C4' energy: -62.600
flat angles C4'-P-C4' energy: -64.627
flat angles P-C4'-P energy: -44.621
tors. eta vs tors. theta energy: -86.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1016.721308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.721308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.721308 (E_RNA)
where:
Base-Base interactions energy: -693.580
where: short stacking energy: -291.294
Base-Backbone interact. energy: -2.601
local terms energy: -320.539833
where:
bonds (distance) C4'-P energy: -60.576
bonds (distance) P-C4' energy: -65.688
flat angles C4'-P-C4' energy: -78.845
flat angles P-C4'-P energy: -44.088
tors. eta vs tors. theta energy: -71.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -989.259817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.259817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.259817 (E_RNA)
where:
Base-Base interactions energy: -662.831
where: short stacking energy: -261.465
Base-Backbone interact. energy: -1.919
local terms energy: -324.509158
where:
bonds (distance) C4'-P energy: -65.764
bonds (distance) P-C4' energy: -67.841
flat angles C4'-P-C4' energy: -71.572
flat angles P-C4'-P energy: -52.039
tors. eta vs tors. theta energy: -67.294
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: 7
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -953.080512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.080512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.080512 (E_RNA)
where:
Base-Base interactions energy: -635.066
where: short stacking energy: -287.766
Base-Backbone interact. energy: -1.632
local terms energy: -316.383217
where:
bonds (distance) C4'-P energy: -52.152
bonds (distance) P-C4' energy: -63.611
flat angles C4'-P-C4' energy: -75.522
flat angles P-C4'-P energy: -51.539
tors. eta vs tors. theta energy: -73.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -781.388768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.388768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.388768 (E_RNA)
where:
Base-Base interactions energy: -503.077
where: short stacking energy: -241.996
Base-Backbone interact. energy: -1.896
local terms energy: -276.416063
where:
bonds (distance) C4'-P energy: -49.802
bonds (distance) P-C4' energy: -63.514
flat angles C4'-P-C4' energy: -55.984
flat angles P-C4'-P energy: -38.955
tors. eta vs tors. theta energy: -68.161
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: 9
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -730.379348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.379348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.379348 (E_RNA)
where:
Base-Base interactions energy: -471.269
where: short stacking energy: -213.875
Base-Backbone interact. energy: -2.349
local terms energy: -256.760507
where:
bonds (distance) C4'-P energy: -61.212
bonds (distance) P-C4' energy: -34.300
flat angles C4'-P-C4' energy: -67.474
flat angles P-C4'-P energy: -33.932
tors. eta vs tors. theta energy: -59.842
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: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -637.059529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.059529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.059529 (E_RNA)
where:
Base-Base interactions energy: -378.643
where: short stacking energy: -174.204
Base-Backbone interact. energy: -0.334
local terms energy: -258.081891
where:
bonds (distance) C4'-P energy: -51.293
bonds (distance) P-C4' energy: -68.984
flat angles C4'-P-C4' energy: -51.829
flat angles P-C4'-P energy: -42.163
tors. eta vs tors. theta energy: -43.813
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: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -465.377336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.377336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.377336 (E_RNA)
where:
Base-Base interactions energy: -264.989
where: short stacking energy: -120.737
Base-Backbone interact. energy: -0.304
local terms energy: -200.083631
where:
bonds (distance) C4'-P energy: -49.982
bonds (distance) P-C4' energy: -57.457
flat angles C4'-P-C4' energy: -51.691
flat angles P-C4'-P energy: -26.886
tors. eta vs tors. theta energy: -14.069
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: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -361.705445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.705445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.705445 (E_RNA)
where:
Base-Base interactions energy: -168.245
where: short stacking energy: -95.581
Base-Backbone interact. energy: -1.318
local terms energy: -192.142732
where:
bonds (distance) C4'-P energy: -44.923
bonds (distance) P-C4' energy: -52.467
flat angles C4'-P-C4' energy: -55.769
flat angles P-C4'-P energy: -38.615
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: 10, replica: 5
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -271.317964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.317964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.317964 (E_RNA)
where:
Base-Base interactions energy: -82.938
where: short stacking energy: -71.032
Base-Backbone interact. energy: 1.919
local terms energy: -190.298843
where:
bonds (distance) C4'-P energy: -56.407
bonds (distance) P-C4' energy: -63.188
flat angles C4'-P-C4' energy: -54.832
flat angles P-C4'-P energy: -28.601
tors. eta vs tors. theta energy: 12.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1041.231823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.231823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.231823 (E_RNA)
where:
Base-Base interactions energy: -718.258
where: short stacking energy: -298.005
Base-Backbone interact. energy: -2.071
local terms energy: -321.279061
where:
bonds (distance) C4'-P energy: -69.923
bonds (distance) P-C4' energy: -60.436
flat angles C4'-P-C4' energy: -64.721
flat angles P-C4'-P energy: -47.626
tors. eta vs tors. theta energy: -78.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.377 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1011.682161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.682161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.682161 (E_RNA)
where:
Base-Base interactions energy: -680.005
where: short stacking energy: -317.016
Base-Backbone interact. energy: -2.224
local terms energy: -329.453420
where:
bonds (distance) C4'-P energy: -58.548
bonds (distance) P-C4' energy: -68.349
flat angles C4'-P-C4' energy: -73.277
flat angles P-C4'-P energy: -40.742
tors. eta vs tors. theta energy: -88.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -988.868329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.868329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.868329 (E_RNA)
where:
Base-Base interactions energy: -669.679
where: short stacking energy: -312.198
Base-Backbone interact. energy: -3.810
local terms energy: -315.379308
where:
bonds (distance) C4'-P energy: -62.968
bonds (distance) P-C4' energy: -52.628
flat angles C4'-P-C4' energy: -67.717
flat angles P-C4'-P energy: -46.646
tors. eta vs tors. theta energy: -85.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -945.193498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.193498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.193498 (E_RNA)
where:
Base-Base interactions energy: -644.871
where: short stacking energy: -267.569
Base-Backbone interact. energy: -1.012
local terms energy: -299.310418
where:
bonds (distance) C4'-P energy: -54.861
bonds (distance) P-C4' energy: -64.877
flat angles C4'-P-C4' energy: -65.426
flat angles P-C4'-P energy: -36.008
tors. eta vs tors. theta energy: -78.138
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: 190
Temperature: 1.100000
Total energy: -795.191578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.191578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.191578 (E_RNA)
where:
Base-Base interactions energy: -510.737
where: short stacking energy: -246.555
Base-Backbone interact. energy: -0.733
local terms energy: -283.721296
where:
bonds (distance) C4'-P energy: -60.444
bonds (distance) P-C4' energy: -48.952
flat angles C4'-P-C4' energy: -66.016
flat angles P-C4'-P energy: -45.834
tors. eta vs tors. theta energy: -62.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -723.831028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.831028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.831028 (E_RNA)
where:
Base-Base interactions energy: -474.457
where: short stacking energy: -214.518
Base-Backbone interact. energy: 0.969
local terms energy: -251.017501
where:
bonds (distance) C4'-P energy: -58.880
bonds (distance) P-C4' energy: -49.917
flat angles C4'-P-C4' energy: -57.793
flat angles P-C4'-P energy: -35.979
tors. eta vs tors. theta energy: -48.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.674 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -613.067874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.067874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.067874 (E_RNA)
where:
Base-Base interactions energy: -371.013
where: short stacking energy: -180.694
Base-Backbone interact. energy: 0.795
local terms energy: -242.849746
where:
bonds (distance) C4'-P energy: -58.494
bonds (distance) P-C4' energy: -51.376
flat angles C4'-P-C4' energy: -64.269
flat angles P-C4'-P energy: -30.445
tors. eta vs tors. theta energy: -38.266
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: 190
Temperature: 1.250000
Total energy: -518.398774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.398774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.398774 (E_RNA)
where:
Base-Base interactions energy: -287.390
where: short stacking energy: -151.425
Base-Backbone interact. energy: -1.264
local terms energy: -229.745307
where:
bonds (distance) C4'-P energy: -55.156
bonds (distance) P-C4' energy: -64.752
flat angles C4'-P-C4' energy: -54.559
flat angles P-C4'-P energy: -38.533
tors. eta vs tors. theta energy: -16.744
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: 9, replica: 3
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -350.770327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.770327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.770327 (E_RNA)
where:
Base-Base interactions energy: -156.012
where: short stacking energy: -115.212
Base-Backbone interact. energy: 2.737
local terms energy: -197.495172
where:
bonds (distance) C4'-P energy: -56.338
bonds (distance) P-C4' energy: -51.989
flat angles C4'-P-C4' energy: -45.244
flat angles P-C4'-P energy: -30.233
tors. eta vs tors. theta energy: -13.691
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: 5
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -283.266298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.266298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.266298 (E_RNA)
where:
Base-Base interactions energy: -100.553
where: short stacking energy: -84.509
Base-Backbone interact. energy: -3.427
local terms energy: -179.286603
where:
bonds (distance) C4'-P energy: -53.416
bonds (distance) P-C4' energy: -55.556
flat angles C4'-P-C4' energy: -52.017
flat angles P-C4'-P energy: -33.690
tors. eta vs tors. theta energy: 15.392
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: 1, replica: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1072.520449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.520449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.520449 (E_RNA)
where:
Base-Base interactions energy: -742.723
where: short stacking energy: -324.951
Base-Backbone interact. energy: -1.430
local terms energy: -328.885455
where:
bonds (distance) C4'-P energy: -66.578
bonds (distance) P-C4' energy: -57.135
flat angles C4'-P-C4' energy: -70.492
flat angles P-C4'-P energy: -46.704
tors. eta vs tors. theta energy: -87.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.517 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -972.729855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.729855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.729855 (E_RNA)
where:
Base-Base interactions energy: -654.975
where: short stacking energy: -311.269
Base-Backbone interact. energy: 2.674
local terms energy: -321.014825
where:
bonds (distance) C4'-P energy: -57.530
bonds (distance) P-C4' energy: -66.258
flat angles C4'-P-C4' energy: -67.369
flat angles P-C4'-P energy: -43.119
tors. eta vs tors. theta energy: -86.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.586 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -987.964495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.964495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.964495 (E_RNA)
where:
Base-Base interactions energy: -675.096
where: short stacking energy: -294.319
Base-Backbone interact. energy: -0.715
local terms energy: -312.153428
where:
bonds (distance) C4'-P energy: -57.582
bonds (distance) P-C4' energy: -63.106
flat angles C4'-P-C4' energy: -74.303
flat angles P-C4'-P energy: -39.084
tors. eta vs tors. theta energy: -78.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -923.263518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.263518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.263518 (E_RNA)
where:
Base-Base interactions energy: -621.117
where: short stacking energy: -250.148
Base-Backbone interact. energy: -3.042
local terms energy: -299.103884
where:
bonds (distance) C4'-P energy: -66.905
bonds (distance) P-C4' energy: -60.413
flat angles C4'-P-C4' energy: -64.449
flat angles P-C4'-P energy: -45.363
tors. eta vs tors. theta energy: -61.974
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: 5, replica: 9
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -784.557157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.557157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.557157 (E_RNA)
where:
Base-Base interactions energy: -498.168
where: short stacking energy: -233.633
Base-Backbone interact. energy: -1.922
local terms energy: -284.466488
where:
bonds (distance) C4'-P energy: -57.229
bonds (distance) P-C4' energy: -61.858
flat angles C4'-P-C4' energy: -65.857
flat angles P-C4'-P energy: -45.635
tors. eta vs tors. theta energy: -53.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -775.759214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.759214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.759214 (E_RNA)
where:
Base-Base interactions energy: -490.677
where: short stacking energy: -239.822
Base-Backbone interact. energy: -0.878
local terms energy: -286.085782
where:
bonds (distance) C4'-P energy: -60.320
bonds (distance) P-C4' energy: -56.136
flat angles C4'-P-C4' energy: -59.657
flat angles P-C4'-P energy: -44.593
tors. eta vs tors. theta energy: -65.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.882 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -602.767497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.767497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.767497 (E_RNA)
where:
Base-Base interactions energy: -354.370
where: short stacking energy: -159.901
Base-Backbone interact. energy: -0.390
local terms energy: -248.007449
where:
bonds (distance) C4'-P energy: -60.381
bonds (distance) P-C4' energy: -53.563
flat angles C4'-P-C4' energy: -56.622
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -38.808
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: 8, replica: 1
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -524.977619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.977619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.977619 (E_RNA)
where:
Base-Base interactions energy: -308.238
where: short stacking energy: -145.423
Base-Backbone interact. energy: -0.867
local terms energy: -215.873169
where:
bonds (distance) C4'-P energy: -52.454
bonds (distance) P-C4' energy: -61.594
flat angles C4'-P-C4' energy: -47.318
flat angles P-C4'-P energy: -27.456
tors. eta vs tors. theta energy: -27.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -349.180702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.180702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.180702 (E_RNA)
where:
Base-Base interactions energy: -156.598
where: short stacking energy: -97.383
Base-Backbone interact. energy: 0.573
local terms energy: -193.155651
where:
bonds (distance) C4'-P energy: -62.020
bonds (distance) P-C4' energy: -54.705
flat angles C4'-P-C4' energy: -60.308
flat angles P-C4'-P energy: -28.296
tors. eta vs tors. theta energy: 12.173
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: 10, replica: 5
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -272.176103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.176103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.176103 (E_RNA)
where:
Base-Base interactions energy: -100.362
where: short stacking energy: -64.507
Base-Backbone interact. energy: -1.732
local terms energy: -170.081444
where:
bonds (distance) C4'-P energy: -58.824
bonds (distance) P-C4' energy: -55.163
flat angles C4'-P-C4' energy: -54.955
flat angles P-C4'-P energy: -19.413
tors. eta vs tors. theta energy: 18.273
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: 1, replica: 8
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1066.278017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.278017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.278017 (E_RNA)
where:
Base-Base interactions energy: -724.849
where: short stacking energy: -321.751
Base-Backbone interact. energy: -3.814
local terms energy: -337.643143
where:
bonds (distance) C4'-P energy: -63.154
bonds (distance) P-C4' energy: -74.277
flat angles C4'-P-C4' energy: -67.590
flat angles P-C4'-P energy: -44.775
tors. eta vs tors. theta energy: -87.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.028 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -983.785890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.785890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.785890 (E_RNA)
where:
Base-Base interactions energy: -638.171
where: short stacking energy: -285.775
Base-Backbone interact. energy: -0.770
local terms energy: -344.844947
where:
bonds (distance) C4'-P energy: -57.573
bonds (distance) P-C4' energy: -75.421
flat angles C4'-P-C4' energy: -76.927
flat angles P-C4'-P energy: -51.930
tors. eta vs tors. theta energy: -82.994
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: 192
Temperature: 1.000000
Total energy: -1001.147225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.147225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.147225 (E_RNA)
where:
Base-Base interactions energy: -689.250
where: short stacking energy: -278.474
Base-Backbone interact. energy: 1.341
local terms energy: -313.238986
where:
bonds (distance) C4'-P energy: -58.232
bonds (distance) P-C4' energy: -58.487
flat angles C4'-P-C4' energy: -71.368
flat angles P-C4'-P energy: -45.652
tors. eta vs tors. theta energy: -79.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -923.339261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.339261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.339261 (E_RNA)
where:
Base-Base interactions energy: -630.794
where: short stacking energy: -266.463
Base-Backbone interact. energy: -0.417
local terms energy: -292.128717
where:
bonds (distance) C4'-P energy: -58.118
bonds (distance) P-C4' energy: -59.626
flat angles C4'-P-C4' energy: -60.879
flat angles P-C4'-P energy: -44.666
tors. eta vs tors. theta energy: -68.840
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: 5, replica: 9
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -789.955554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.955554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.955554 (E_RNA)
where:
Base-Base interactions energy: -491.863
where: short stacking energy: -226.966
Base-Backbone interact. energy: -1.267
local terms energy: -296.825495
where:
bonds (distance) C4'-P energy: -61.595
bonds (distance) P-C4' energy: -68.300
flat angles C4'-P-C4' energy: -61.969
flat angles P-C4'-P energy: -42.896
tors. eta vs tors. theta energy: -62.065
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: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -716.928051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.928051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.928051 (E_RNA)
where:
Base-Base interactions energy: -442.566
where: short stacking energy: -220.982
Base-Backbone interact. energy: 4.517
local terms energy: -278.879420
where:
bonds (distance) C4'-P energy: -63.543
bonds (distance) P-C4' energy: -67.578
flat angles C4'-P-C4' energy: -64.147
flat angles P-C4'-P energy: -26.132
tors. eta vs tors. theta energy: -57.480
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: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -593.602432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.602432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.602432 (E_RNA)
where:
Base-Base interactions energy: -360.078
where: short stacking energy: -170.162
Base-Backbone interact. energy: 0.243
local terms energy: -233.767462
where:
bonds (distance) C4'-P energy: -59.913
bonds (distance) P-C4' energy: -56.514
flat angles C4'-P-C4' energy: -50.127
flat angles P-C4'-P energy: -32.500
tors. eta vs tors. theta energy: -34.715
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: 1
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -546.148302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.148302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.148302 (E_RNA)
where:
Base-Base interactions energy: -305.407
where: short stacking energy: -130.068
Base-Backbone interact. energy: -1.423
local terms energy: -239.317821
where:
bonds (distance) C4'-P energy: -53.514
bonds (distance) P-C4' energy: -60.881
flat angles C4'-P-C4' energy: -63.220
flat angles P-C4'-P energy: -36.044
tors. eta vs tors. theta energy: -25.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -361.009812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.009812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.009812 (E_RNA)
where:
Base-Base interactions energy: -174.696
where: short stacking energy: -100.642
Base-Backbone interact. energy: 0.559
local terms energy: -186.872767
where:
bonds (distance) C4'-P energy: -55.296
bonds (distance) P-C4' energy: -46.828
flat angles C4'-P-C4' energy: -53.737
flat angles P-C4'-P energy: -35.911
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: 5
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -280.703458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.703458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.703458 (E_RNA)
where:
Base-Base interactions energy: -117.747
where: short stacking energy: -86.069
Base-Backbone interact. energy: 1.245
local terms energy: -164.201537
where:
bonds (distance) C4'-P energy: -47.597
bonds (distance) P-C4' energy: -60.697
flat angles C4'-P-C4' energy: -43.750
flat angles P-C4'-P energy: -26.958
tors. eta vs tors. theta energy: 14.801
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: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1063.781463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.781463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.781463 (E_RNA)
where:
Base-Base interactions energy: -737.035
where: short stacking energy: -317.093
Base-Backbone interact. energy: -2.207
local terms energy: -324.539411
where:
bonds (distance) C4'-P energy: -59.471
bonds (distance) P-C4' energy: -65.227
flat angles C4'-P-C4' energy: -77.266
flat angles P-C4'-P energy: -37.935
tors. eta vs tors. theta energy: -84.641
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: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1011.710948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.710948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.710948 (E_RNA)
where:
Base-Base interactions energy: -679.661
where: short stacking energy: -285.043
Base-Backbone interact. energy: -3.502
local terms energy: -328.548432
where:
bonds (distance) C4'-P energy: -62.467
bonds (distance) P-C4' energy: -72.026
flat angles C4'-P-C4' energy: -64.707
flat angles P-C4'-P energy: -48.372
tors. eta vs tors. theta energy: -80.976
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: 3, replica: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -965.516759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.516759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.516759 (E_RNA)
where:
Base-Base interactions energy: -655.761
where: short stacking energy: -280.205
Base-Backbone interact. energy: 0.695
local terms energy: -310.450109
where:
bonds (distance) C4'-P energy: -59.224
bonds (distance) P-C4' energy: -51.294
flat angles C4'-P-C4' energy: -64.529
flat angles P-C4'-P energy: -48.203
tors. eta vs tors. theta energy: -87.199
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: 7
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -930.113825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.113825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.113825 (E_RNA)
where:
Base-Base interactions energy: -636.164
where: short stacking energy: -264.826
Base-Backbone interact. energy: -4.045
local terms energy: -289.904746
where:
bonds (distance) C4'-P energy: -57.666
bonds (distance) P-C4' energy: -61.630
flat angles C4'-P-C4' energy: -61.876
flat angles P-C4'-P energy: -33.764
tors. eta vs tors. theta energy: -74.968
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: 9
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -761.056077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.056077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.056077 (E_RNA)
where:
Base-Base interactions energy: -471.914
where: short stacking energy: -213.565
Base-Backbone interact. energy: -0.435
local terms energy: -288.707423
where:
bonds (distance) C4'-P energy: -69.216
bonds (distance) P-C4' energy: -59.400
flat angles C4'-P-C4' energy: -70.198
flat angles P-C4'-P energy: -32.391
tors. eta vs tors. theta energy: -57.502
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: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -704.260778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.260778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.260778 (E_RNA)
where:
Base-Base interactions energy: -421.845
where: short stacking energy: -202.861
Base-Backbone interact. energy: -1.382
local terms energy: -281.174227
where:
bonds (distance) C4'-P energy: -56.382
bonds (distance) P-C4' energy: -67.141
flat angles C4'-P-C4' energy: -62.846
flat angles P-C4'-P energy: -40.422
tors. eta vs tors. theta energy: -54.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.140 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -649.221529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.221529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.221529 (E_RNA)
where:
Base-Base interactions energy: -377.790
where: short stacking energy: -191.996
Base-Backbone interact. energy: -0.448
local terms energy: -270.984070
where:
bonds (distance) C4'-P energy: -65.713
bonds (distance) P-C4' energy: -60.556
flat angles C4'-P-C4' energy: -64.049
flat angles P-C4'-P energy: -34.761
tors. eta vs tors. theta energy: -45.905
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: 193
Temperature: 1.250000
Total energy: -571.210487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.210487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.210487 (E_RNA)
where:
Base-Base interactions energy: -345.521
where: short stacking energy: -153.623
Base-Backbone interact. energy: -0.117
local terms energy: -225.572995
where:
bonds (distance) C4'-P energy: -48.921
bonds (distance) P-C4' energy: -58.710
flat angles C4'-P-C4' energy: -62.491
flat angles P-C4'-P energy: -30.442
tors. eta vs tors. theta energy: -25.010
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: 3
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -345.089695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.089695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.089695 (E_RNA)
where:
Base-Base interactions energy: -139.633
where: short stacking energy: -90.361
Base-Backbone interact. energy: 1.230
local terms energy: -206.686693
where:
bonds (distance) C4'-P energy: -60.218
bonds (distance) P-C4' energy: -69.673
flat angles C4'-P-C4' energy: -36.363
flat angles P-C4'-P energy: -35.881
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: 10, replica: 5
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -268.860908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.860908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.860908 (E_RNA)
where:
Base-Base interactions energy: -80.507
where: short stacking energy: -68.407
Base-Backbone interact. energy: 1.283
local terms energy: -189.636603
where:
bonds (distance) C4'-P energy: -47.120
bonds (distance) P-C4' energy: -72.323
flat angles C4'-P-C4' energy: -51.648
flat angles P-C4'-P energy: -31.955
tors. eta vs tors. theta energy: 13.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1072.104949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.104949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.104949 (E_RNA)
where:
Base-Base interactions energy: -727.462
where: short stacking energy: -305.130
Base-Backbone interact. energy: -0.252
local terms energy: -344.390822
where:
bonds (distance) C4'-P energy: -65.429
bonds (distance) P-C4' energy: -74.969
flat angles C4'-P-C4' energy: -73.870
flat angles P-C4'-P energy: -45.406
tors. eta vs tors. theta energy: -84.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1020.406935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.406935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.406935 (E_RNA)
where:
Base-Base interactions energy: -703.067
where: short stacking energy: -304.994
Base-Backbone interact. energy: -0.045
local terms energy: -317.294475
where:
bonds (distance) C4'-P energy: -61.384
bonds (distance) P-C4' energy: -68.737
flat angles C4'-P-C4' energy: -67.601
flat angles P-C4'-P energy: -42.529
tors. eta vs tors. theta energy: -77.044
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: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -978.334596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.334596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.334596 (E_RNA)
where:
Base-Base interactions energy: -662.344
where: short stacking energy: -276.083
Base-Backbone interact. energy: -0.721
local terms energy: -315.269769
where:
bonds (distance) C4'-P energy: -60.516
bonds (distance) P-C4' energy: -57.823
flat angles C4'-P-C4' energy: -69.965
flat angles P-C4'-P energy: -43.658
tors. eta vs tors. theta energy: -83.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -964.566172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.566172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.566172 (E_RNA)
where:
Base-Base interactions energy: -654.091
where: short stacking energy: -267.927
Base-Backbone interact. energy: -0.462
local terms energy: -310.012588
where:
bonds (distance) C4'-P energy: -62.020
bonds (distance) P-C4' energy: -69.954
flat angles C4'-P-C4' energy: -67.002
flat angles P-C4'-P energy: -35.285
tors. eta vs tors. theta energy: -75.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -764.794397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.794397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.794397 (E_RNA)
where:
Base-Base interactions energy: -498.898
where: short stacking energy: -234.204
Base-Backbone interact. energy: -0.954
local terms energy: -264.942876
where:
bonds (distance) C4'-P energy: -56.150
bonds (distance) P-C4' energy: -60.049
flat angles C4'-P-C4' energy: -64.474
flat angles P-C4'-P energy: -31.229
tors. eta vs tors. theta energy: -53.041
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: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -730.535454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.535454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.535454 (E_RNA)
where:
Base-Base interactions energy: -452.773
where: short stacking energy: -208.596
Base-Backbone interact. energy: -1.501
local terms energy: -276.261598
where:
bonds (distance) C4'-P energy: -59.387
bonds (distance) P-C4' energy: -65.671
flat angles C4'-P-C4' energy: -58.616
flat angles P-C4'-P energy: -38.366
tors. eta vs tors. theta energy: -54.222
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: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -581.333368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.333368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.333368 (E_RNA)
where:
Base-Base interactions energy: -338.050
where: short stacking energy: -170.440
Base-Backbone interact. energy: 2.427
local terms energy: -245.709773
where:
bonds (distance) C4'-P energy: -55.660
bonds (distance) P-C4' energy: -60.179
flat angles C4'-P-C4' energy: -68.815
flat angles P-C4'-P energy: -31.067
tors. eta vs tors. theta energy: -29.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -554.280063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.280063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.280063 (E_RNA)
where:
Base-Base interactions energy: -342.593
where: short stacking energy: -148.334
Base-Backbone interact. energy: 1.999
local terms energy: -213.686638
where:
bonds (distance) C4'-P energy: -56.298
bonds (distance) P-C4' energy: -55.289
flat angles C4'-P-C4' energy: -49.495
flat angles P-C4'-P energy: -35.090
tors. eta vs tors. theta energy: -17.514
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: 3
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -342.272882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.272882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.272882 (E_RNA)
where:
Base-Base interactions energy: -158.398
where: short stacking energy: -96.487
Base-Backbone interact. energy: -0.796
local terms energy: -183.079832
where:
bonds (distance) C4'-P energy: -50.683
bonds (distance) P-C4' energy: -56.213
flat angles C4'-P-C4' energy: -47.826
flat angles P-C4'-P energy: -28.474
tors. eta vs tors. theta energy: 0.117
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: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -266.674357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.674357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.674357 (E_RNA)
where:
Base-Base interactions energy: -76.265
where: short stacking energy: -69.028
Base-Backbone interact. energy: -0.731
local terms energy: -189.679024
where:
bonds (distance) C4'-P energy: -57.614
bonds (distance) P-C4' energy: -63.251
flat angles C4'-P-C4' energy: -42.382
flat angles P-C4'-P energy: -38.736
tors. eta vs tors. theta energy: 12.304
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: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1061.287177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.287177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.287177 (E_RNA)
where:
Base-Base interactions energy: -728.867
where: short stacking energy: -327.808
Base-Backbone interact. energy: -2.601
local terms energy: -329.818892
where:
bonds (distance) C4'-P energy: -56.612
bonds (distance) P-C4' energy: -72.942
flat angles C4'-P-C4' energy: -63.047
flat angles P-C4'-P energy: -54.211
tors. eta vs tors. theta energy: -83.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1017.981238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.981238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.981238 (E_RNA)
where:
Base-Base interactions energy: -704.973
where: short stacking energy: -295.034
Base-Backbone interact. energy: -1.555
local terms energy: -311.452969
where:
bonds (distance) C4'-P energy: -51.711
bonds (distance) P-C4' energy: -65.192
flat angles C4'-P-C4' energy: -71.130
flat angles P-C4'-P energy: -41.547
tors. eta vs tors. theta energy: -81.872
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: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -967.493950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.493950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.493950 (E_RNA)
where:
Base-Base interactions energy: -653.262
where: short stacking energy: -298.531
Base-Backbone interact. energy: 2.309
local terms energy: -316.541557
where:
bonds (distance) C4'-P energy: -55.734
bonds (distance) P-C4' energy: -65.159
flat angles C4'-P-C4' energy: -64.783
flat angles P-C4'-P energy: -51.592
tors. eta vs tors. theta energy: -79.274
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: 4, replica: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -914.836905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.836905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.836905 (E_RNA)
where:
Base-Base interactions energy: -619.775
where: short stacking energy: -252.767
Base-Backbone interact. energy: -1.756
local terms energy: -293.306365
where:
bonds (distance) C4'-P energy: -53.544
bonds (distance) P-C4' energy: -67.677
flat angles C4'-P-C4' energy: -57.931
flat angles P-C4'-P energy: -45.756
tors. eta vs tors. theta energy: -68.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -783.087618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.087618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.087618 (E_RNA)
where:
Base-Base interactions energy: -477.565
where: short stacking energy: -224.873
Base-Backbone interact. energy: -1.487
local terms energy: -304.035721
where:
bonds (distance) C4'-P energy: -63.512
bonds (distance) P-C4' energy: -74.073
flat angles C4'-P-C4' energy: -59.696
flat angles P-C4'-P energy: -47.125
tors. eta vs tors. theta energy: -59.631
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: 6, replica: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -724.798031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.798031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.798031 (E_RNA)
where:
Base-Base interactions energy: -451.915
where: short stacking energy: -219.383
Base-Backbone interact. energy: -1.644
local terms energy: -271.238763
where:
bonds (distance) C4'-P energy: -45.729
bonds (distance) P-C4' energy: -60.961
flat angles C4'-P-C4' energy: -64.223
flat angles P-C4'-P energy: -46.509
tors. eta vs tors. theta energy: -53.817
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: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -652.471626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.471626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.471626 (E_RNA)
where:
Base-Base interactions energy: -389.052
where: short stacking energy: -186.509
Base-Backbone interact. energy: -1.086
local terms energy: -262.334220
where:
bonds (distance) C4'-P energy: -59.721
bonds (distance) P-C4' energy: -68.268
flat angles C4'-P-C4' energy: -60.822
flat angles P-C4'-P energy: -36.635
tors. eta vs tors. theta energy: -36.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -586.474021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.474021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.474021 (E_RNA)
where:
Base-Base interactions energy: -356.544
where: short stacking energy: -161.492
Base-Backbone interact. energy: 0.739
local terms energy: -230.668702
where:
bonds (distance) C4'-P energy: -54.927
bonds (distance) P-C4' energy: -55.695
flat angles C4'-P-C4' energy: -65.595
flat angles P-C4'-P energy: -35.059
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -335.539590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.539590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.539590 (E_RNA)
where:
Base-Base interactions energy: -145.392
where: short stacking energy: -90.584
Base-Backbone interact. energy: -0.477
local terms energy: -189.706327
where:
bonds (distance) C4'-P energy: -56.882
bonds (distance) P-C4' energy: -55.311
flat angles C4'-P-C4' energy: -43.565
flat angles P-C4'-P energy: -42.002
tors. eta vs tors. theta energy: 8.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.036 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -276.129035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.129035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.129035 (E_RNA)
where:
Base-Base interactions energy: -102.570
where: short stacking energy: -66.608
Base-Backbone interact. energy: -0.655
local terms energy: -172.903649
where:
bonds (distance) C4'-P energy: -52.179
bonds (distance) P-C4' energy: -57.380
flat angles C4'-P-C4' energy: -54.844
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: 6.644
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: 1, replica: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1054.129224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.129224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.129224 (E_RNA)
where:
Base-Base interactions energy: -713.725
where: short stacking energy: -297.572
Base-Backbone interact. energy: -7.104
local terms energy: -333.300339
where:
bonds (distance) C4'-P energy: -67.931
bonds (distance) P-C4' energy: -63.592
flat angles C4'-P-C4' energy: -71.008
flat angles P-C4'-P energy: -52.847
tors. eta vs tors. theta energy: -77.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1023.543995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.543995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.543995 (E_RNA)
where:
Base-Base interactions energy: -694.497
where: short stacking energy: -292.397
Base-Backbone interact. energy: -3.313
local terms energy: -325.733498
where:
bonds (distance) C4'-P energy: -60.380
bonds (distance) P-C4' energy: -65.399
flat angles C4'-P-C4' energy: -67.704
flat angles P-C4'-P energy: -50.878
tors. eta vs tors. theta energy: -81.373
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: 7
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -964.509938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.509938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.509938 (E_RNA)
where:
Base-Base interactions energy: -651.464
where: short stacking energy: -289.957
Base-Backbone interact. energy: -3.761
local terms energy: -309.285713
where:
bonds (distance) C4'-P energy: -63.832
bonds (distance) P-C4' energy: -62.287
flat angles C4'-P-C4' energy: -67.418
flat angles P-C4'-P energy: -35.588
tors. eta vs tors. theta energy: -80.161
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: 10
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -926.721177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.721177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.721177 (E_RNA)
where:
Base-Base interactions energy: -613.990
where: short stacking energy: -282.267
Base-Backbone interact. energy: 0.136
local terms energy: -312.867323
where:
bonds (distance) C4'-P energy: -58.737
bonds (distance) P-C4' energy: -65.478
flat angles C4'-P-C4' energy: -67.761
flat angles P-C4'-P energy: -43.618
tors. eta vs tors. theta energy: -77.274
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: 5, replica: 9
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -766.383175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.383175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.383175 (E_RNA)
where:
Base-Base interactions energy: -492.347
where: short stacking energy: -206.331
Base-Backbone interact. energy: 0.297
local terms energy: -274.332828
where:
bonds (distance) C4'-P energy: -52.476
bonds (distance) P-C4' energy: -62.079
flat angles C4'-P-C4' energy: -65.810
flat angles P-C4'-P energy: -49.628
tors. eta vs tors. theta energy: -44.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -735.556681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.556681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.556681 (E_RNA)
where:
Base-Base interactions energy: -461.110
where: short stacking energy: -216.647
Base-Backbone interact. energy: -0.297
local terms energy: -274.149675
where:
bonds (distance) C4'-P energy: -54.287
bonds (distance) P-C4' energy: -54.408
flat angles C4'-P-C4' energy: -58.726
flat angles P-C4'-P energy: -43.949
tors. eta vs tors. theta energy: -62.779
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: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -603.020015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.020015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.020015 (E_RNA)
where:
Base-Base interactions energy: -354.339
where: short stacking energy: -172.680
Base-Backbone interact. energy: -2.089
local terms energy: -246.591950
where:
bonds (distance) C4'-P energy: -60.990
bonds (distance) P-C4' energy: -64.244
flat angles C4'-P-C4' energy: -56.319
flat angles P-C4'-P energy: -40.410
tors. eta vs tors. theta energy: -24.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -631.529966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.529966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.529966 (E_RNA)
where:
Base-Base interactions energy: -402.201
where: short stacking energy: -177.743
Base-Backbone interact. energy: -0.823
local terms energy: -228.506579
where:
bonds (distance) C4'-P energy: -52.692
bonds (distance) P-C4' energy: -66.275
flat angles C4'-P-C4' energy: -42.155
flat angles P-C4'-P energy: -39.681
tors. eta vs tors. theta energy: -27.703
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: 9, replica: 3
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -413.221188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.221188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.221188 (E_RNA)
where:
Base-Base interactions energy: -218.097
where: short stacking energy: -122.810
Base-Backbone interact. energy: 2.290
local terms energy: -197.414207
where:
bonds (distance) C4'-P energy: -43.863
bonds (distance) P-C4' energy: -58.830
flat angles C4'-P-C4' energy: -54.636
flat angles P-C4'-P energy: -26.474
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -288.478126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.478126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.478126 (E_RNA)
where:
Base-Base interactions energy: -129.998
where: short stacking energy: -90.096
Base-Backbone interact. energy: 1.077
local terms energy: -159.557378
where:
bonds (distance) C4'-P energy: -54.727
bonds (distance) P-C4' energy: -50.479
flat angles C4'-P-C4' energy: -44.623
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: 6.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1050.474225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.474225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.474225 (E_RNA)
where:
Base-Base interactions energy: -705.352
where: short stacking energy: -299.320
Base-Backbone interact. energy: -4.502
local terms energy: -340.620688
where:
bonds (distance) C4'-P energy: -65.952
bonds (distance) P-C4' energy: -69.025
flat angles C4'-P-C4' energy: -71.037
flat angles P-C4'-P energy: -49.553
tors. eta vs tors. theta energy: -85.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -974.776355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.776355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.776355 (E_RNA)
where:
Base-Base interactions energy: -655.277
where: short stacking energy: -273.835
Base-Backbone interact. energy: -1.041
local terms energy: -318.458221
where:
bonds (distance) C4'-P energy: -68.358
bonds (distance) P-C4' energy: -57.564
flat angles C4'-P-C4' energy: -58.988
flat angles P-C4'-P energy: -58.747
tors. eta vs tors. theta energy: -74.801
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: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -998.934668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.934668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.934668 (E_RNA)
where:
Base-Base interactions energy: -676.090
where: short stacking energy: -293.445
Base-Backbone interact. energy: 1.340
local terms energy: -324.184586
where:
bonds (distance) C4'-P energy: -60.327
bonds (distance) P-C4' energy: -65.218
flat angles C4'-P-C4' energy: -63.949
flat angles P-C4'-P energy: -51.054
tors. eta vs tors. theta energy: -83.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -919.212372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.212372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.212372 (E_RNA)
where:
Base-Base interactions energy: -603.724
where: short stacking energy: -267.033
Base-Backbone interact. energy: -0.573
local terms energy: -315.900166
where:
bonds (distance) C4'-P energy: -60.377
bonds (distance) P-C4' energy: -64.840
flat angles C4'-P-C4' energy: -69.102
flat angles P-C4'-P energy: -50.395
tors. eta vs tors. theta energy: -71.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.984 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -776.927267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.927267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.927267 (E_RNA)
where:
Base-Base interactions energy: -492.569
where: short stacking energy: -251.276
Base-Backbone interact. energy: -1.472
local terms energy: -282.885589
where:
bonds (distance) C4'-P energy: -65.387
bonds (distance) P-C4' energy: -64.471
flat angles C4'-P-C4' energy: -56.035
flat angles P-C4'-P energy: -35.080
tors. eta vs tors. theta energy: -61.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -729.024175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.024175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.024175 (E_RNA)
where:
Base-Base interactions energy: -473.347
where: short stacking energy: -228.557
Base-Backbone interact. energy: -0.058
local terms energy: -255.619902
where:
bonds (distance) C4'-P energy: -55.954
bonds (distance) P-C4' energy: -53.806
flat angles C4'-P-C4' energy: -57.077
flat angles P-C4'-P energy: -38.532
tors. eta vs tors. theta energy: -50.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -589.640547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.640547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.640547 (E_RNA)
where:
Base-Base interactions energy: -358.480
where: short stacking energy: -190.663
Base-Backbone interact. energy: -0.147
local terms energy: -231.013006
where:
bonds (distance) C4'-P energy: -53.506
bonds (distance) P-C4' energy: -61.534
flat angles C4'-P-C4' energy: -51.354
flat angles P-C4'-P energy: -31.684
tors. eta vs tors. theta energy: -32.934
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: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -629.990200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.990200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.990200 (E_RNA)
where:
Base-Base interactions energy: -391.659
where: short stacking energy: -162.929
Base-Backbone interact. energy: -1.059
local terms energy: -237.272971
where:
bonds (distance) C4'-P energy: -58.637
bonds (distance) P-C4' energy: -56.799
flat angles C4'-P-C4' energy: -56.311
flat angles P-C4'-P energy: -35.126
tors. eta vs tors. theta energy: -30.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -402.104579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.104579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.104579 (E_RNA)
where:
Base-Base interactions energy: -214.962
where: short stacking energy: -113.454
Base-Backbone interact. energy: 0.471
local terms energy: -187.612782
where:
bonds (distance) C4'-P energy: -45.000
bonds (distance) P-C4' energy: -61.114
flat angles C4'-P-C4' energy: -56.891
flat angles P-C4'-P energy: -18.614
tors. eta vs tors. theta energy: -5.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -263.865897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.865897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.865897 (E_RNA)
where:
Base-Base interactions energy: -97.874
where: short stacking energy: -83.590
Base-Backbone interact. energy: 1.157
local terms energy: -167.149055
where:
bonds (distance) C4'-P energy: -42.258
bonds (distance) P-C4' energy: -64.760
flat angles C4'-P-C4' energy: -42.319
flat angles P-C4'-P energy: -21.770
tors. eta vs tors. theta energy: 3.958
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: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1060.193873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.193873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.193873 (E_RNA)
where:
Base-Base interactions energy: -715.371
where: short stacking energy: -307.314
Base-Backbone interact. energy: -3.347
local terms energy: -341.476127
where:
bonds (distance) C4'-P energy: -64.125
bonds (distance) P-C4' energy: -67.145
flat angles C4'-P-C4' energy: -72.800
flat angles P-C4'-P energy: -52.971
tors. eta vs tors. theta energy: -84.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -986.037240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.037240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.037240 (E_RNA)
where:
Base-Base interactions energy: -670.199
where: short stacking energy: -282.282
Base-Backbone interact. energy: 0.160
local terms energy: -315.998209
where:
bonds (distance) C4'-P energy: -60.921
bonds (distance) P-C4' energy: -65.951
flat angles C4'-P-C4' energy: -74.163
flat angles P-C4'-P energy: -42.809
tors. eta vs tors. theta energy: -72.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1005.506473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.506473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.506473 (E_RNA)
where:
Base-Base interactions energy: -675.722
where: short stacking energy: -302.178
Base-Backbone interact. energy: -2.951
local terms energy: -326.834002
where:
bonds (distance) C4'-P energy: -55.813
bonds (distance) P-C4' energy: -56.487
flat angles C4'-P-C4' energy: -75.993
flat angles P-C4'-P energy: -52.789
tors. eta vs tors. theta energy: -85.752
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: 10
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -921.981498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.981498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.981498 (E_RNA)
where:
Base-Base interactions energy: -609.287
where: short stacking energy: -292.707
Base-Backbone interact. energy: 0.175
local terms energy: -313.043221
where:
bonds (distance) C4'-P energy: -58.920
bonds (distance) P-C4' energy: -51.585
flat angles C4'-P-C4' energy: -73.700
flat angles P-C4'-P energy: -42.170
tors. eta vs tors. theta energy: -86.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.173 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -745.433891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.433891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.433891 (E_RNA)
where:
Base-Base interactions energy: -476.418
where: short stacking energy: -212.199
Base-Backbone interact. energy: -2.088
local terms energy: -266.927712
where:
bonds (distance) C4'-P energy: -53.996
bonds (distance) P-C4' energy: -62.567
flat angles C4'-P-C4' energy: -59.376
flat angles P-C4'-P energy: -34.562
tors. eta vs tors. theta energy: -56.427
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: 2
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -761.877254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.877254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.877254 (E_RNA)
where:
Base-Base interactions energy: -491.540
where: short stacking energy: -236.727
Base-Backbone interact. energy: -2.605
local terms energy: -267.732247
where:
bonds (distance) C4'-P energy: -48.520
bonds (distance) P-C4' energy: -46.795
flat angles C4'-P-C4' energy: -63.991
flat angles P-C4'-P energy: -48.228
tors. eta vs tors. theta energy: -60.198
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: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -604.333812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.333812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.333812 (E_RNA)
where:
Base-Base interactions energy: -382.463
where: short stacking energy: -182.383
Base-Backbone interact. energy: -0.430
local terms energy: -221.441031
where:
bonds (distance) C4'-P energy: -38.782
bonds (distance) P-C4' energy: -57.606
flat angles C4'-P-C4' energy: -50.493
flat angles P-C4'-P energy: -34.756
tors. eta vs tors. theta energy: -39.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -606.747743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.747743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.747743 (E_RNA)
where:
Base-Base interactions energy: -347.367
where: short stacking energy: -164.962
Base-Backbone interact. energy: -0.307
local terms energy: -259.073606
where:
bonds (distance) C4'-P energy: -60.729
bonds (distance) P-C4' energy: -66.282
flat angles C4'-P-C4' energy: -62.478
flat angles P-C4'-P energy: -43.955
tors. eta vs tors. theta energy: -25.629
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: 3
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -390.866165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.866165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.866165 (E_RNA)
where:
Base-Base interactions energy: -204.412
where: short stacking energy: -104.827
Base-Backbone interact. energy: 2.538
local terms energy: -189.371458
where:
bonds (distance) C4'-P energy: -55.149
bonds (distance) P-C4' energy: -58.793
flat angles C4'-P-C4' energy: -35.260
flat angles P-C4'-P energy: -37.031
tors. eta vs tors. theta energy: -3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.379 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -274.945218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.945218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.945218 (E_RNA)
where:
Base-Base interactions energy: -94.262
where: short stacking energy: -75.137
Base-Backbone interact. energy: -1.360
local terms energy: -179.323087
where:
bonds (distance) C4'-P energy: -52.523
bonds (distance) P-C4' energy: -51.176
flat angles C4'-P-C4' energy: -51.018
flat angles P-C4'-P energy: -26.091
tors. eta vs tors. theta energy: 1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1052.162835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.162835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.162835 (E_RNA)
where:
Base-Base interactions energy: -718.597
where: short stacking energy: -310.573
Base-Backbone interact. energy: -3.922
local terms energy: -329.643567
where:
bonds (distance) C4'-P energy: -62.899
bonds (distance) P-C4' energy: -58.953
flat angles C4'-P-C4' energy: -73.386
flat angles P-C4'-P energy: -48.751
tors. eta vs tors. theta energy: -85.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -985.592053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.592053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.592053 (E_RNA)
where:
Base-Base interactions energy: -671.036
where: short stacking energy: -293.630
Base-Backbone interact. energy: -1.256
local terms energy: -313.299664
where:
bonds (distance) C4'-P energy: -56.664
bonds (distance) P-C4' energy: -54.891
flat angles C4'-P-C4' energy: -71.739
flat angles P-C4'-P energy: -49.382
tors. eta vs tors. theta energy: -80.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -955.559445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.559445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.559445 (E_RNA)
where:
Base-Base interactions energy: -632.427
where: short stacking energy: -271.839
Base-Backbone interact. energy: -0.897
local terms energy: -322.235926
where:
bonds (distance) C4'-P energy: -64.752
bonds (distance) P-C4' energy: -69.715
flat angles C4'-P-C4' energy: -67.820
flat angles P-C4'-P energy: -42.388
tors. eta vs tors. theta energy: -77.562
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: 199
Temperature: 1.050000
Total energy: -917.745316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.745316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.745316 (E_RNA)
where:
Base-Base interactions energy: -604.583
where: short stacking energy: -268.444
Base-Backbone interact. energy: 2.537
local terms energy: -316.028524
where:
bonds (distance) C4'-P energy: -67.095
bonds (distance) P-C4' energy: -61.934
flat angles C4'-P-C4' energy: -63.121
flat angles P-C4'-P energy: -36.675
tors. eta vs tors. theta energy: -87.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.329 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -744.600277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.600277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.600277 (E_RNA)
where:
Base-Base interactions energy: -472.715
where: short stacking energy: -210.229
Base-Backbone interact. energy: -1.148
local terms energy: -270.736981
where:
bonds (distance) C4'-P energy: -57.488
bonds (distance) P-C4' energy: -60.055
flat angles C4'-P-C4' energy: -66.600
flat angles P-C4'-P energy: -45.304
tors. eta vs tors. theta energy: -41.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -763.560615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.560615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.560615 (E_RNA)
where:
Base-Base interactions energy: -495.539
where: short stacking energy: -217.706
Base-Backbone interact. energy: 1.199
local terms energy: -269.220234
where:
bonds (distance) C4'-P energy: -55.892
bonds (distance) P-C4' energy: -60.036
flat angles C4'-P-C4' energy: -61.222
flat angles P-C4'-P energy: -42.926
tors. eta vs tors. theta energy: -49.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -594.764000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.764000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.764000 (E_RNA)
where:
Base-Base interactions energy: -337.271
where: short stacking energy: -182.499
Base-Backbone interact. energy: -0.594
local terms energy: -256.899791
where:
bonds (distance) C4'-P energy: -58.045
bonds (distance) P-C4' energy: -67.270
flat angles C4'-P-C4' energy: -53.932
flat angles P-C4'-P energy: -43.625
tors. eta vs tors. theta energy: -34.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -591.022344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.022344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.022344 (E_RNA)
where:
Base-Base interactions energy: -367.848
where: short stacking energy: -130.360
Base-Backbone interact. energy: 0.360
local terms energy: -223.534172
where:
bonds (distance) C4'-P energy: -49.410
bonds (distance) P-C4' energy: -61.262
flat angles C4'-P-C4' energy: -57.905
flat angles P-C4'-P energy: -37.956
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -424.387952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.387952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.387952 (E_RNA)
where:
Base-Base interactions energy: -227.070
where: short stacking energy: -125.723
Base-Backbone interact. energy: -2.983
local terms energy: -194.334982
where:
bonds (distance) C4'-P energy: -55.881
bonds (distance) P-C4' energy: -56.320
flat angles C4'-P-C4' energy: -47.609
flat angles P-C4'-P energy: -27.215
tors. eta vs tors. theta energy: -7.310
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: 10, replica: 5
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -320.893338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.893338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.893338 (E_RNA)
where:
Base-Base interactions energy: -131.138
where: short stacking energy: -116.946
Base-Backbone interact. energy: 1.068
local terms energy: -190.823153
where:
bonds (distance) C4'-P energy: -56.732
bonds (distance) P-C4' energy: -60.075
flat angles C4'-P-C4' energy: -44.626
flat angles P-C4'-P energy: -23.541
tors. eta vs tors. theta energy: -5.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1053.758793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.758793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.758793 (E_RNA)
where:
Base-Base interactions energy: -710.803
where: short stacking energy: -301.690
Base-Backbone interact. energy: -2.419
local terms energy: -340.537581
where:
bonds (distance) C4'-P energy: -61.939
bonds (distance) P-C4' energy: -74.245
flat angles C4'-P-C4' energy: -69.961
flat angles P-C4'-P energy: -48.078
tors. eta vs tors. theta energy: -86.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1037.540543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.540543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.540543 (E_RNA)
where:
Base-Base interactions energy: -713.169
where: short stacking energy: -297.247
Base-Backbone interact. energy: -1.927
local terms energy: -322.444199
where:
bonds (distance) C4'-P energy: -76.916
bonds (distance) P-C4' energy: -66.920
flat angles C4'-P-C4' energy: -66.213
flat angles P-C4'-P energy: -32.282
tors. eta vs tors. theta energy: -80.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -969.285526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.285526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.285526 (E_RNA)
where:
Base-Base interactions energy: -637.247
where: short stacking energy: -273.828
Base-Backbone interact. energy: -3.279
local terms energy: -328.758958
where:
bonds (distance) C4'-P energy: -74.011
bonds (distance) P-C4' energy: -60.788
flat angles C4'-P-C4' energy: -69.840
flat angles P-C4'-P energy: -46.582
tors. eta vs tors. theta energy: -77.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -919.257525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.257525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.257525 (E_RNA)
where:
Base-Base interactions energy: -602.182
where: short stacking energy: -279.693
Base-Backbone interact. energy: -3.045
local terms energy: -314.164870
where:
bonds (distance) C4'-P energy: -50.997
bonds (distance) P-C4' energy: -62.632
flat angles C4'-P-C4' energy: -69.073
flat angles P-C4'-P energy: -47.850
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: 0.135 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -800.052936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.052936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.052936 (E_RNA)
where:
Base-Base interactions energy: -509.964
where: short stacking energy: -247.039
Base-Backbone interact. energy: -2.615
local terms energy: -287.474619
where:
bonds (distance) C4'-P energy: -52.932
bonds (distance) P-C4' energy: -65.447
flat angles C4'-P-C4' energy: -67.198
flat angles P-C4'-P energy: -43.175
tors. eta vs tors. theta energy: -58.723
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: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -736.820419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.820419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.820419 (E_RNA)
where:
Base-Base interactions energy: -457.595
where: short stacking energy: -207.281
Base-Backbone interact. energy: -0.701
local terms energy: -278.524234
where:
bonds (distance) C4'-P energy: -61.533
bonds (distance) P-C4' energy: -52.780
flat angles C4'-P-C4' energy: -68.488
flat angles P-C4'-P energy: -44.101
tors. eta vs tors. theta energy: -51.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -652.153544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.153544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.153544 (E_RNA)
where:
Base-Base interactions energy: -394.383
where: short stacking energy: -178.304
Base-Backbone interact. energy: -1.698
local terms energy: -256.072432
where:
bonds (distance) C4'-P energy: -54.144
bonds (distance) P-C4' energy: -69.288
flat angles C4'-P-C4' energy: -65.478
flat angles P-C4'-P energy: -36.691
tors. eta vs tors. theta energy: -30.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -578.441247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.441247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.441247 (E_RNA)
where:
Base-Base interactions energy: -341.922
where: short stacking energy: -152.861
Base-Backbone interact. energy: -1.138
local terms energy: -235.381254
where:
bonds (distance) C4'-P energy: -66.524
bonds (distance) P-C4' energy: -53.389
flat angles C4'-P-C4' energy: -63.041
flat angles P-C4'-P energy: -29.287
tors. eta vs tors. theta energy: -23.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -389.722253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.722253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.722253 (E_RNA)
where:
Base-Base interactions energy: -208.693
where: short stacking energy: -110.379
Base-Backbone interact. energy: 1.530
local terms energy: -182.558313
where:
bonds (distance) C4'-P energy: -45.167
bonds (distance) P-C4' energy: -57.895
flat angles C4'-P-C4' energy: -49.045
flat angles P-C4'-P energy: -24.516
tors. eta vs tors. theta energy: -5.935
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: 5
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -259.147756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.147756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.147756 (E_RNA)
where:
Base-Base interactions energy: -76.584
where: short stacking energy: -59.891
Base-Backbone interact. energy: -0.581
local terms energy: -181.982657
where:
bonds (distance) C4'-P energy: -55.082
bonds (distance) P-C4' energy: -66.691
flat angles C4'-P-C4' energy: -44.906
flat angles P-C4'-P energy: -28.303
tors. eta vs tors. theta energy: 12.999
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: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1052.817985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.817985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.817985 (E_RNA)
where:
Base-Base interactions energy: -704.573
where: short stacking energy: -304.290
Base-Backbone interact. energy: -0.355
local terms energy: -347.889753
where:
bonds (distance) C4'-P energy: -62.494
bonds (distance) P-C4' energy: -67.094
flat angles C4'-P-C4' energy: -80.959
flat angles P-C4'-P energy: -49.580
tors. eta vs tors. theta energy: -87.761
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: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1047.548440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.548440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.548440 (E_RNA)
where:
Base-Base interactions energy: -723.463
where: short stacking energy: -299.166
Base-Backbone interact. energy: 0.990
local terms energy: -325.075363
where:
bonds (distance) C4'-P energy: -65.439
bonds (distance) P-C4' energy: -67.209
flat angles C4'-P-C4' energy: -68.680
flat angles P-C4'-P energy: -48.850
tors. eta vs tors. theta energy: -74.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -975.652342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.652342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.652342 (E_RNA)
where:
Base-Base interactions energy: -654.381
where: short stacking energy: -278.485
Base-Backbone interact. energy: 1.256
local terms energy: -322.527936
where:
bonds (distance) C4'-P energy: -69.189
bonds (distance) P-C4' energy: -57.379
flat angles C4'-P-C4' energy: -66.753
flat angles P-C4'-P energy: -48.998
tors. eta vs tors. theta energy: -80.209
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: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -887.861275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.861275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.861275 (E_RNA)
where:
Base-Base interactions energy: -586.276
where: short stacking energy: -259.730
Base-Backbone interact. energy: -0.192
local terms energy: -304.830184
where:
bonds (distance) C4'-P energy: -60.128
bonds (distance) P-C4' energy: -67.650
flat angles C4'-P-C4' energy: -66.678
flat angles P-C4'-P energy: -38.210
tors. eta vs tors. theta energy: -72.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.437 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -803.680624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.680624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.680624 (E_RNA)
where:
Base-Base interactions energy: -513.529
where: short stacking energy: -244.305
Base-Backbone interact. energy: -2.154
local terms energy: -287.997393
where:
bonds (distance) C4'-P energy: -59.682
bonds (distance) P-C4' energy: -54.024
flat angles C4'-P-C4' energy: -58.924
flat angles P-C4'-P energy: -45.891
tors. eta vs tors. theta energy: -69.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -697.604614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.604614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.604614 (E_RNA)
where:
Base-Base interactions energy: -434.565
where: short stacking energy: -199.677
Base-Backbone interact. energy: -0.265
local terms energy: -262.773908
where:
bonds (distance) C4'-P energy: -61.130
bonds (distance) P-C4' energy: -57.338
flat angles C4'-P-C4' energy: -47.885
flat angles P-C4'-P energy: -45.983
tors. eta vs tors. theta energy: -50.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -651.168429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.168429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.168429 (E_RNA)
where:
Base-Base interactions energy: -435.134
where: short stacking energy: -173.491
Base-Backbone interact. energy: 2.604
local terms energy: -218.638434
where:
bonds (distance) C4'-P energy: -59.503
bonds (distance) P-C4' energy: -47.010
flat angles C4'-P-C4' energy: -57.392
flat angles P-C4'-P energy: -30.568
tors. eta vs tors. theta energy: -24.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -542.729018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.729018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.729018 (E_RNA)
where:
Base-Base interactions energy: -321.617
where: short stacking energy: -154.323
Base-Backbone interact. energy: -0.884
local terms energy: -220.228247
where:
bonds (distance) C4'-P energy: -52.748
bonds (distance) P-C4' energy: -57.065
flat angles C4'-P-C4' energy: -56.876
flat angles P-C4'-P energy: -28.457
tors. eta vs tors. theta energy: -25.082
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: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -381.645698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.645698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.645698 (E_RNA)
where:
Base-Base interactions energy: -187.051
where: short stacking energy: -107.339
Base-Backbone interact. energy: -1.325
local terms energy: -193.269858
where:
bonds (distance) C4'-P energy: -56.736
bonds (distance) P-C4' energy: -52.199
flat angles C4'-P-C4' energy: -51.965
flat angles P-C4'-P energy: -32.668
tors. eta vs tors. theta energy: 0.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -303.129192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.129192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.129192 (E_RNA)
where:
Base-Base interactions energy: -121.123
where: short stacking energy: -81.302
Base-Backbone interact. energy: -0.058
local terms energy: -181.948951
where:
bonds (distance) C4'-P energy: -57.409
bonds (distance) P-C4' energy: -57.732
flat angles C4'-P-C4' energy: -49.131
flat angles P-C4'-P energy: -27.532
tors. eta vs tors. theta energy: 9.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1078.350692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.350692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.350692 (E_RNA)
where:
Base-Base interactions energy: -727.533
where: short stacking energy: -313.964
Base-Backbone interact. energy: -0.784
local terms energy: -350.033254
where:
bonds (distance) C4'-P energy: -59.566
bonds (distance) P-C4' energy: -68.906
flat angles C4'-P-C4' energy: -78.941
flat angles P-C4'-P energy: -53.985
tors. eta vs tors. theta energy: -88.635
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: 202
Temperature: 0.950000
Total energy: -1029.507136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.507136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.507136 (E_RNA)
where:
Base-Base interactions energy: -709.182
where: short stacking energy: -299.881
Base-Backbone interact. energy: -3.513
local terms energy: -316.812209
where:
bonds (distance) C4'-P energy: -58.526
bonds (distance) P-C4' energy: -68.284
flat angles C4'-P-C4' energy: -69.016
flat angles P-C4'-P energy: -41.945
tors. eta vs tors. theta energy: -79.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -974.459103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.459103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.459103 (E_RNA)
where:
Base-Base interactions energy: -665.433
where: short stacking energy: -277.280
Base-Backbone interact. energy: 1.250
local terms energy: -310.275461
where:
bonds (distance) C4'-P energy: -60.339
bonds (distance) P-C4' energy: -70.582
flat angles C4'-P-C4' energy: -65.559
flat angles P-C4'-P energy: -43.597
tors. eta vs tors. theta energy: -70.199
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: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -891.208688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.208688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.208688 (E_RNA)
where:
Base-Base interactions energy: -593.666
where: short stacking energy: -273.658
Base-Backbone interact. energy: -0.167
local terms energy: -297.376536
where:
bonds (distance) C4'-P energy: -49.756
bonds (distance) P-C4' energy: -59.893
flat angles C4'-P-C4' energy: -67.797
flat angles P-C4'-P energy: -45.211
tors. eta vs tors. theta energy: -74.720
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: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -815.436949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.436949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.436949 (E_RNA)
where:
Base-Base interactions energy: -511.425
where: short stacking energy: -239.699
Base-Backbone interact. energy: -1.058
local terms energy: -302.953858
where:
bonds (distance) C4'-P energy: -64.567
bonds (distance) P-C4' energy: -68.374
flat angles C4'-P-C4' energy: -65.521
flat angles P-C4'-P energy: -42.372
tors. eta vs tors. theta energy: -62.120
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: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -692.016949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.016949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.016949 (E_RNA)
where:
Base-Base interactions energy: -439.569
where: short stacking energy: -200.886
Base-Backbone interact. energy: -1.519
local terms energy: -250.929362
where:
bonds (distance) C4'-P energy: -37.468
bonds (distance) P-C4' energy: -59.525
flat angles C4'-P-C4' energy: -71.387
flat angles P-C4'-P energy: -40.159
tors. eta vs tors. theta energy: -42.391
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: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -601.941006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.941006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.941006 (E_RNA)
where:
Base-Base interactions energy: -368.841
where: short stacking energy: -177.012
Base-Backbone interact. energy: -0.302
local terms energy: -232.797531
where:
bonds (distance) C4'-P energy: -53.475
bonds (distance) P-C4' energy: -53.016
flat angles C4'-P-C4' energy: -58.137
flat angles P-C4'-P energy: -36.101
tors. eta vs tors. theta energy: -32.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -554.144337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.144337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.144337 (E_RNA)
where:
Base-Base interactions energy: -333.236
where: short stacking energy: -139.035
Base-Backbone interact. energy: -1.733
local terms energy: -219.175581
where:
bonds (distance) C4'-P energy: -45.076
bonds (distance) P-C4' energy: -68.181
flat angles C4'-P-C4' energy: -55.335
flat angles P-C4'-P energy: -36.421
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -378.205031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.205031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.205031 (E_RNA)
where:
Base-Base interactions energy: -192.575
where: short stacking energy: -132.126
Base-Backbone interact. energy: 3.867
local terms energy: -189.497628
where:
bonds (distance) C4'-P energy: -54.516
bonds (distance) P-C4' energy: -41.288
flat angles C4'-P-C4' energy: -55.470
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -254.124006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.124006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.124006 (E_RNA)
where:
Base-Base interactions energy: -92.690
where: short stacking energy: -85.384
Base-Backbone interact. energy: -2.426
local terms energy: -159.817739
where:
bonds (distance) C4'-P energy: -55.610
bonds (distance) P-C4' energy: -47.902
flat angles C4'-P-C4' energy: -36.543
flat angles P-C4'-P energy: -23.531
tors. eta vs tors. theta energy: 3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.810 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1056.881906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.881906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.881906 (E_RNA)
where:
Base-Base interactions energy: -712.756
where: short stacking energy: -319.804
Base-Backbone interact. energy: -4.489
local terms energy: -339.637460
where:
bonds (distance) C4'-P energy: -71.216
bonds (distance) P-C4' energy: -68.510
flat angles C4'-P-C4' energy: -65.740
flat angles P-C4'-P energy: -50.990
tors. eta vs tors. theta energy: -83.181
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: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1057.120362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.120362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.120362 (E_RNA)
where:
Base-Base interactions energy: -726.544
where: short stacking energy: -302.200
Base-Backbone interact. energy: -1.720
local terms energy: -328.856648
where:
bonds (distance) C4'-P energy: -62.544
bonds (distance) P-C4' energy: -75.146
flat angles C4'-P-C4' energy: -73.648
flat angles P-C4'-P energy: -45.280
tors. eta vs tors. theta energy: -72.239
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: 3, replica: 7
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -967.640229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.640229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.640229 (E_RNA)
where:
Base-Base interactions energy: -662.046
where: short stacking energy: -272.775
Base-Backbone interact. energy: -1.216
local terms energy: -304.378209
where:
bonds (distance) C4'-P energy: -59.510
bonds (distance) P-C4' energy: -59.444
flat angles C4'-P-C4' energy: -65.482
flat angles P-C4'-P energy: -48.545
tors. eta vs tors. theta energy: -71.397
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: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -897.950000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.950000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.950000 (E_RNA)
where:
Base-Base interactions energy: -583.755
where: short stacking energy: -274.177
Base-Backbone interact. energy: -0.963
local terms energy: -313.232710
where:
bonds (distance) C4'-P energy: -56.055
bonds (distance) P-C4' energy: -49.391
flat angles C4'-P-C4' energy: -76.286
flat angles P-C4'-P energy: -53.109
tors. eta vs tors. theta energy: -78.392
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: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -777.820759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.820759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.820759 (E_RNA)
where:
Base-Base interactions energy: -525.463
where: short stacking energy: -224.534
Base-Backbone interact. energy: -1.546
local terms energy: -250.812025
where:
bonds (distance) C4'-P energy: -39.187
bonds (distance) P-C4' energy: -51.322
flat angles C4'-P-C4' energy: -68.668
flat angles P-C4'-P energy: -44.616
tors. eta vs tors. theta energy: -47.018
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: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -691.373996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.373996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.373996 (E_RNA)
where:
Base-Base interactions energy: -432.645
where: short stacking energy: -208.487
Base-Backbone interact. energy: 3.965
local terms energy: -262.693680
where:
bonds (distance) C4'-P energy: -53.896
bonds (distance) P-C4' energy: -64.967
flat angles C4'-P-C4' energy: -62.194
flat angles P-C4'-P energy: -40.768
tors. eta vs tors. theta energy: -40.869
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: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -629.372115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.372115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.372115 (E_RNA)
where:
Base-Base interactions energy: -391.556
where: short stacking energy: -179.380
Base-Backbone interact. energy: -1.305
local terms energy: -236.510625
where:
bonds (distance) C4'-P energy: -53.049
bonds (distance) P-C4' energy: -53.365
flat angles C4'-P-C4' energy: -65.530
flat angles P-C4'-P energy: -34.156
tors. eta vs tors. theta energy: -30.411
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: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -563.753802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.753802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.753802 (E_RNA)
where:
Base-Base interactions energy: -332.812
where: short stacking energy: -166.097
Base-Backbone interact. energy: -0.631
local terms energy: -230.311002
where:
bonds (distance) C4'-P energy: -56.648
bonds (distance) P-C4' energy: -57.635
flat angles C4'-P-C4' energy: -55.102
flat angles P-C4'-P energy: -25.697
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: 9, replica: 3
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -334.070732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.070732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.070732 (E_RNA)
where:
Base-Base interactions energy: -150.061
where: short stacking energy: -93.469
Base-Backbone interact. energy: -2.137
local terms energy: -181.872951
where:
bonds (distance) C4'-P energy: -58.941
bonds (distance) P-C4' energy: -49.323
flat angles C4'-P-C4' energy: -42.903
flat angles P-C4'-P energy: -31.165
tors. eta vs tors. theta energy: 0.460
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: 10, replica: 5
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -278.588735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.588735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.588735 (E_RNA)
where:
Base-Base interactions energy: -95.028
where: short stacking energy: -80.769
Base-Backbone interact. energy: -1.830
local terms energy: -181.730962
where:
bonds (distance) C4'-P energy: -64.578
bonds (distance) P-C4' energy: -51.214
flat angles C4'-P-C4' energy: -39.407
flat angles P-C4'-P energy: -35.878
tors. eta vs tors. theta energy: 9.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1062.225999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.225999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.225999 (E_RNA)
where:
Base-Base interactions energy: -715.758
where: short stacking energy: -331.032
Base-Backbone interact. energy: -1.492
local terms energy: -344.975792
where:
bonds (distance) C4'-P energy: -65.586
bonds (distance) P-C4' energy: -57.121
flat angles C4'-P-C4' energy: -74.906
flat angles P-C4'-P energy: -55.394
tors. eta vs tors. theta energy: -91.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1047.440483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.440483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.440483 (E_RNA)
where:
Base-Base interactions energy: -721.767
where: short stacking energy: -299.151
Base-Backbone interact. energy: -2.630
local terms energy: -323.043314
where:
bonds (distance) C4'-P energy: -62.738
bonds (distance) P-C4' energy: -57.369
flat angles C4'-P-C4' energy: -76.450
flat angles P-C4'-P energy: -48.932
tors. eta vs tors. theta energy: -77.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -957.139431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.139431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.139431 (E_RNA)
where:
Base-Base interactions energy: -665.230
where: short stacking energy: -284.675
Base-Backbone interact. energy: 0.208
local terms energy: -292.116957
where:
bonds (distance) C4'-P energy: -53.317
bonds (distance) P-C4' energy: -51.920
flat angles C4'-P-C4' energy: -65.752
flat angles P-C4'-P energy: -46.195
tors. eta vs tors. theta energy: -74.933
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: 4, replica: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -871.799304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.799304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.799304 (E_RNA)
where:
Base-Base interactions energy: -566.272
where: short stacking energy: -257.349
Base-Backbone interact. energy: -0.302
local terms energy: -305.224940
where:
bonds (distance) C4'-P energy: -64.563
bonds (distance) P-C4' energy: -64.094
flat angles C4'-P-C4' energy: -59.213
flat angles P-C4'-P energy: -41.459
tors. eta vs tors. theta energy: -75.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -714.809070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.809070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.809070 (E_RNA)
where:
Base-Base interactions energy: -443.783
where: short stacking energy: -191.460
Base-Backbone interact. energy: -1.345
local terms energy: -269.681779
where:
bonds (distance) C4'-P energy: -52.794
bonds (distance) P-C4' energy: -62.045
flat angles C4'-P-C4' energy: -63.068
flat angles P-C4'-P energy: -44.715
tors. eta vs tors. theta energy: -47.060
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: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -761.098121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.098121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.098121 (E_RNA)
where:
Base-Base interactions energy: -485.276
where: short stacking energy: -218.421
Base-Backbone interact. energy: -0.360
local terms energy: -275.462109
where:
bonds (distance) C4'-P energy: -61.409
bonds (distance) P-C4' energy: -57.723
flat angles C4'-P-C4' energy: -62.576
flat angles P-C4'-P energy: -36.359
tors. eta vs tors. theta energy: -57.395
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: 1
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -530.562302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.562302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.562302 (E_RNA)
where:
Base-Base interactions energy: -295.084
where: short stacking energy: -136.442
Base-Backbone interact. energy: -1.236
local terms energy: -234.242228
where:
bonds (distance) C4'-P energy: -66.335
bonds (distance) P-C4' energy: -60.423
flat angles C4'-P-C4' energy: -59.372
flat angles P-C4'-P energy: -28.476
tors. eta vs tors. theta energy: -19.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -585.232280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.232280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.232280 (E_RNA)
where:
Base-Base interactions energy: -371.541
where: short stacking energy: -144.685
Base-Backbone interact. energy: 0.839
local terms energy: -214.530178
where:
bonds (distance) C4'-P energy: -62.029
bonds (distance) P-C4' energy: -59.415
flat angles C4'-P-C4' energy: -43.087
flat angles P-C4'-P energy: -40.188
tors. eta vs tors. theta energy: -9.811
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: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -357.011468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.011468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.011468 (E_RNA)
where:
Base-Base interactions energy: -149.819
where: short stacking energy: -92.050
Base-Backbone interact. energy: 0.743
local terms energy: -207.936151
where:
bonds (distance) C4'-P energy: -58.640
bonds (distance) P-C4' energy: -62.834
flat angles C4'-P-C4' energy: -50.094
flat angles P-C4'-P energy: -39.799
tors. eta vs tors. theta energy: 3.431
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: 10, replica: 5
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -301.997171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.997171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.997171 (E_RNA)
where:
Base-Base interactions energy: -104.025
where: short stacking energy: -87.256
Base-Backbone interact. energy: -0.847
local terms energy: -197.125235
where:
bonds (distance) C4'-P energy: -57.608
bonds (distance) P-C4' energy: -59.181
flat angles C4'-P-C4' energy: -50.051
flat angles P-C4'-P energy: -33.415
tors. eta vs tors. theta energy: 3.130
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: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1072.050305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.050305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.050305 (E_RNA)
where:
Base-Base interactions energy: -729.122
where: short stacking energy: -328.866
Base-Backbone interact. energy: -1.361
local terms energy: -341.567750
where:
bonds (distance) C4'-P energy: -60.740
bonds (distance) P-C4' energy: -63.981
flat angles C4'-P-C4' energy: -72.365
flat angles P-C4'-P energy: -51.345
tors. eta vs tors. theta energy: -93.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1023.279231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.279231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.279231 (E_RNA)
where:
Base-Base interactions energy: -688.655
where: short stacking energy: -298.870
Base-Backbone interact. energy: 0.094
local terms energy: -335.454481
where:
bonds (distance) C4'-P energy: -66.292
bonds (distance) P-C4' energy: -65.907
flat angles C4'-P-C4' energy: -67.089
flat angles P-C4'-P energy: -55.213
tors. eta vs tors. theta energy: -80.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.736 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -947.719671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.719671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.719671 (E_RNA)
where:
Base-Base interactions energy: -641.626
where: short stacking energy: -265.694
Base-Backbone interact. energy: -2.505
local terms energy: -303.588393
where:
bonds (distance) C4'-P energy: -70.218
bonds (distance) P-C4' energy: -54.814
flat angles C4'-P-C4' energy: -60.066
flat angles P-C4'-P energy: -46.696
tors. eta vs tors. theta energy: -71.794
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: 10
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -883.066778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.066778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.066778 (E_RNA)
where:
Base-Base interactions energy: -566.999
where: short stacking energy: -250.160
Base-Backbone interact. energy: -0.401
local terms energy: -316.554635
where:
bonds (distance) C4'-P energy: -61.396
bonds (distance) P-C4' energy: -62.042
flat angles C4'-P-C4' energy: -72.620
flat angles P-C4'-P energy: -51.486
tors. eta vs tors. theta energy: -69.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.888 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -717.558130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.558130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.558130 (E_RNA)
where:
Base-Base interactions energy: -467.666
where: short stacking energy: -206.708
Base-Backbone interact. energy: -1.482
local terms energy: -248.410239
where:
bonds (distance) C4'-P energy: -54.064
bonds (distance) P-C4' energy: -54.956
flat angles C4'-P-C4' energy: -56.176
flat angles P-C4'-P energy: -32.592
tors. eta vs tors. theta energy: -50.622
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: 2
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -746.963819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.963819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.963819 (E_RNA)
where:
Base-Base interactions energy: -468.393
where: short stacking energy: -208.433
Base-Backbone interact. energy: -0.491
local terms energy: -278.079413
where:
bonds (distance) C4'-P energy: -65.412
bonds (distance) P-C4' energy: -66.688
flat angles C4'-P-C4' energy: -56.535
flat angles P-C4'-P energy: -36.772
tors. eta vs tors. theta energy: -52.673
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: 1
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -639.754381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.754381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.754381 (E_RNA)
where:
Base-Base interactions energy: -385.295
where: short stacking energy: -190.954
Base-Backbone interact. energy: -2.372
local terms energy: -252.088053
where:
bonds (distance) C4'-P energy: -46.300
bonds (distance) P-C4' energy: -55.772
flat angles C4'-P-C4' energy: -55.784
flat angles P-C4'-P energy: -37.331
tors. eta vs tors. theta energy: -56.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -512.912007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.912007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.912007 (E_RNA)
where:
Base-Base interactions energy: -302.987
where: short stacking energy: -146.539
Base-Backbone interact. energy: 6.094
local terms energy: -216.019951
where:
bonds (distance) C4'-P energy: -53.719
bonds (distance) P-C4' energy: -54.930
flat angles C4'-P-C4' energy: -46.754
flat angles P-C4'-P energy: -35.591
tors. eta vs tors. theta energy: -25.026
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: 9, replica: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -397.577911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.577911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.577911 (E_RNA)
where:
Base-Base interactions energy: -195.527
where: short stacking energy: -125.087
Base-Backbone interact. energy: 5.743
local terms energy: -209.464623
where:
bonds (distance) C4'-P energy: -51.007
bonds (distance) P-C4' energy: -70.622
flat angles C4'-P-C4' energy: -48.486
flat angles P-C4'-P energy: -34.576
tors. eta vs tors. theta energy: -4.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.671 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -324.582177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.582177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.582177 (E_RNA)
where:
Base-Base interactions energy: -135.768
where: short stacking energy: -105.098
Base-Backbone interact. energy: 0.143
local terms energy: -188.957319
where:
bonds (distance) C4'-P energy: -48.427
bonds (distance) P-C4' energy: -53.849
flat angles C4'-P-C4' energy: -53.667
flat angles P-C4'-P energy: -30.654
tors. eta vs tors. theta energy: -2.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1065.034077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.034077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.034077 (E_RNA)
where:
Base-Base interactions energy: -756.414
where: short stacking energy: -311.763
Base-Backbone interact. energy: 0.827
local terms energy: -309.446810
where:
bonds (distance) C4'-P energy: -59.153
bonds (distance) P-C4' energy: -65.899
flat angles C4'-P-C4' energy: -66.486
flat angles P-C4'-P energy: -40.103
tors. eta vs tors. theta energy: -77.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1044.386737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.386737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.386737 (E_RNA)
where:
Base-Base interactions energy: -717.559
where: short stacking energy: -313.828
Base-Backbone interact. energy: -1.029
local terms energy: -325.798780
where:
bonds (distance) C4'-P energy: -58.122
bonds (distance) P-C4' energy: -60.767
flat angles C4'-P-C4' energy: -73.574
flat angles P-C4'-P energy: -43.222
tors. eta vs tors. theta energy: -90.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -958.229681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.229681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.229681 (E_RNA)
where:
Base-Base interactions energy: -645.899
where: short stacking energy: -274.473
Base-Backbone interact. energy: -0.115
local terms energy: -312.215063
where:
bonds (distance) C4'-P energy: -64.170
bonds (distance) P-C4' energy: -70.309
flat angles C4'-P-C4' energy: -61.622
flat angles P-C4'-P energy: -37.509
tors. eta vs tors. theta energy: -78.604
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: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -865.537335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.537335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.537335 (E_RNA)
where:
Base-Base interactions energy: -555.214
where: short stacking energy: -248.887
Base-Backbone interact. energy: -1.023
local terms energy: -310.114041
where:
bonds (distance) C4'-P energy: -67.903
bonds (distance) P-C4' energy: -67.995
flat angles C4'-P-C4' energy: -67.690
flat angles P-C4'-P energy: -38.300
tors. eta vs tors. theta energy: -68.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.814 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -790.139055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.139055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.139055 (E_RNA)
where:
Base-Base interactions energy: -510.056
where: short stacking energy: -213.658
Base-Backbone interact. energy: 2.569
local terms energy: -283.347100
where:
bonds (distance) C4'-P energy: -64.028
bonds (distance) P-C4' energy: -57.815
flat angles C4'-P-C4' energy: -69.672
flat angles P-C4'-P energy: -43.089
tors. eta vs tors. theta energy: -48.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.694 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -710.522677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.522677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.522677 (E_RNA)
where:
Base-Base interactions energy: -424.114
where: short stacking energy: -183.619
Base-Backbone interact. energy: -2.292
local terms energy: -284.116757
where:
bonds (distance) C4'-P energy: -64.354
bonds (distance) P-C4' energy: -67.803
flat angles C4'-P-C4' energy: -52.058
flat angles P-C4'-P energy: -44.169
tors. eta vs tors. theta energy: -55.732
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: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -591.583299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.583299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.583299 (E_RNA)
where:
Base-Base interactions energy: -349.906
where: short stacking energy: -158.009
Base-Backbone interact. energy: 1.505
local terms energy: -243.182543
where:
bonds (distance) C4'-P energy: -57.655
bonds (distance) P-C4' energy: -67.050
flat angles C4'-P-C4' energy: -58.856
flat angles P-C4'-P energy: -25.323
tors. eta vs tors. theta energy: -34.298
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: 206
Temperature: 1.250000
Total energy: -588.160689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.160689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.160689 (E_RNA)
where:
Base-Base interactions energy: -386.520
where: short stacking energy: -155.855
Base-Backbone interact. energy: 0.937
local terms energy: -202.701863
where:
bonds (distance) C4'-P energy: -47.438
bonds (distance) P-C4' energy: -52.105
flat angles C4'-P-C4' energy: -54.451
flat angles P-C4'-P energy: -23.269
tors. eta vs tors. theta energy: -25.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.124 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -392.266888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.266888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.266888 (E_RNA)
where:
Base-Base interactions energy: -190.237
where: short stacking energy: -111.153
Base-Backbone interact. energy: 1.768
local terms energy: -203.798275
where:
bonds (distance) C4'-P energy: -65.095
bonds (distance) P-C4' energy: -50.263
flat angles C4'-P-C4' energy: -60.614
flat angles P-C4'-P energy: -26.210
tors. eta vs tors. theta energy: -1.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -269.600436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.600436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.600436 (E_RNA)
where:
Base-Base interactions energy: -101.848
where: short stacking energy: -74.215
Base-Backbone interact. energy: -1.353
local terms energy: -166.399597
where:
bonds (distance) C4'-P energy: -48.964
bonds (distance) P-C4' energy: -61.152
flat angles C4'-P-C4' energy: -42.563
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: 1.167
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: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1075.089508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.089508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.089508 (E_RNA)
where:
Base-Base interactions energy: -753.319
where: short stacking energy: -317.155
Base-Backbone interact. energy: -2.427
local terms energy: -319.342783
where:
bonds (distance) C4'-P energy: -56.333
bonds (distance) P-C4' energy: -59.348
flat angles C4'-P-C4' energy: -70.435
flat angles P-C4'-P energy: -52.863
tors. eta vs tors. theta energy: -80.363
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: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1027.120929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.120929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.120929 (E_RNA)
where:
Base-Base interactions energy: -701.890
where: short stacking energy: -303.480
Base-Backbone interact. energy: -2.216
local terms energy: -323.014983
where:
bonds (distance) C4'-P energy: -64.722
bonds (distance) P-C4' energy: -60.541
flat angles C4'-P-C4' energy: -70.771
flat angles P-C4'-P energy: -40.594
tors. eta vs tors. theta energy: -86.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -970.541129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.541129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.541129 (E_RNA)
where:
Base-Base interactions energy: -638.628
where: short stacking energy: -289.036
Base-Backbone interact. energy: -1.149
local terms energy: -330.763572
where:
bonds (distance) C4'-P energy: -66.267
bonds (distance) P-C4' energy: -65.303
flat angles C4'-P-C4' energy: -64.751
flat angles P-C4'-P energy: -45.869
tors. eta vs tors. theta energy: -88.573
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: 4, replica: 10
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -893.606201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.606201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.606201 (E_RNA)
where:
Base-Base interactions energy: -588.917
where: short stacking energy: -267.502
Base-Backbone interact. energy: -1.004
local terms energy: -303.685853
where:
bonds (distance) C4'-P energy: -58.228
bonds (distance) P-C4' energy: -63.477
flat angles C4'-P-C4' energy: -64.713
flat angles P-C4'-P energy: -45.171
tors. eta vs tors. theta energy: -72.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -807.048043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.048043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.048043 (E_RNA)
where:
Base-Base interactions energy: -532.524
where: short stacking energy: -231.935
Base-Backbone interact. energy: 0.269
local terms energy: -274.793891
where:
bonds (distance) C4'-P energy: -64.768
bonds (distance) P-C4' energy: -60.340
flat angles C4'-P-C4' energy: -54.580
flat angles P-C4'-P energy: -36.030
tors. eta vs tors. theta energy: -59.076
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: 9
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -713.279041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.279041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.279041 (E_RNA)
where:
Base-Base interactions energy: -450.153
where: short stacking energy: -193.771
Base-Backbone interact. energy: 0.382
local terms energy: -263.508079
where:
bonds (distance) C4'-P energy: -43.862
bonds (distance) P-C4' energy: -64.101
flat angles C4'-P-C4' energy: -58.051
flat angles P-C4'-P energy: -49.255
tors. eta vs tors. theta energy: -48.239
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: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -596.327998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.327998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.327998 (E_RNA)
where:
Base-Base interactions energy: -366.328
where: short stacking energy: -168.241
Base-Backbone interact. energy: -1.624
local terms energy: -228.690309
where:
bonds (distance) C4'-P energy: -54.123
bonds (distance) P-C4' energy: -57.898
flat angles C4'-P-C4' energy: -48.787
flat angles P-C4'-P energy: -29.942
tors. eta vs tors. theta energy: -37.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.315 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -587.101706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.101706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.101706 (E_RNA)
where:
Base-Base interactions energy: -358.273
where: short stacking energy: -142.840
Base-Backbone interact. energy: -1.630
local terms energy: -227.817606
where:
bonds (distance) C4'-P energy: -50.889
bonds (distance) P-C4' energy: -62.340
flat angles C4'-P-C4' energy: -57.035
flat angles P-C4'-P energy: -31.578
tors. eta vs tors. theta energy: -25.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.619 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -375.605290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.605290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.605290 (E_RNA)
where:
Base-Base interactions energy: -165.493
where: short stacking energy: -97.826
Base-Backbone interact. energy: -0.459
local terms energy: -212.051479
where:
bonds (distance) C4'-P energy: -56.675
bonds (distance) P-C4' energy: -60.967
flat angles C4'-P-C4' energy: -54.158
flat angles P-C4'-P energy: -26.779
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.398 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -270.745158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.745158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.745158 (E_RNA)
where:
Base-Base interactions energy: -93.399
where: short stacking energy: -63.486
Base-Backbone interact. energy: -1.007
local terms energy: -176.338902
where:
bonds (distance) C4'-P energy: -49.765
bonds (distance) P-C4' energy: -56.045
flat angles C4'-P-C4' energy: -48.535
flat angles P-C4'-P energy: -39.384
tors. eta vs tors. theta energy: 17.390
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: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1068.411219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.411219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.411219 (E_RNA)
where:
Base-Base interactions energy: -721.762
where: short stacking energy: -307.185
Base-Backbone interact. energy: -2.464
local terms energy: -344.184517
where:
bonds (distance) C4'-P energy: -66.246
bonds (distance) P-C4' energy: -72.838
flat angles C4'-P-C4' energy: -79.248
flat angles P-C4'-P energy: -47.857
tors. eta vs tors. theta energy: -77.996
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: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1041.377230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.377230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.377230 (E_RNA)
where:
Base-Base interactions energy: -698.339
where: short stacking energy: -315.909
Base-Backbone interact. energy: -1.338
local terms energy: -341.700051
where:
bonds (distance) C4'-P energy: -63.308
bonds (distance) P-C4' energy: -63.224
flat angles C4'-P-C4' energy: -74.898
flat angles P-C4'-P energy: -53.551
tors. eta vs tors. theta energy: -86.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -915.344774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.344774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.344774 (E_RNA)
where:
Base-Base interactions energy: -612.914
where: short stacking energy: -272.958
Base-Backbone interact. energy: -1.171
local terms energy: -301.259583
where:
bonds (distance) C4'-P energy: -54.641
bonds (distance) P-C4' energy: -63.173
flat angles C4'-P-C4' energy: -63.455
flat angles P-C4'-P energy: -47.707
tors. eta vs tors. theta energy: -72.283
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: 4, replica: 7
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -906.092964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.092964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.092964 (E_RNA)
where:
Base-Base interactions energy: -603.062
where: short stacking energy: -251.790
Base-Backbone interact. energy: -3.776
local terms energy: -299.254602
where:
bonds (distance) C4'-P energy: -60.376
bonds (distance) P-C4' energy: -68.900
flat angles C4'-P-C4' energy: -59.285
flat angles P-C4'-P energy: -37.992
tors. eta vs tors. theta energy: -72.702
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: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -808.501733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.501733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.501733 (E_RNA)
where:
Base-Base interactions energy: -511.815
where: short stacking energy: -235.634
Base-Backbone interact. energy: -2.514
local terms energy: -294.440143
where:
bonds (distance) C4'-P energy: -51.187
bonds (distance) P-C4' energy: -68.086
flat angles C4'-P-C4' energy: -74.358
flat angles P-C4'-P energy: -33.354
tors. eta vs tors. theta energy: -67.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.267 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -731.752547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.752547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.752547 (E_RNA)
where:
Base-Base interactions energy: -458.433
where: short stacking energy: -224.688
Base-Backbone interact. energy: -0.766
local terms energy: -272.553053
where:
bonds (distance) C4'-P energy: -52.246
bonds (distance) P-C4' energy: -56.110
flat angles C4'-P-C4' energy: -67.416
flat angles P-C4'-P energy: -47.332
tors. eta vs tors. theta energy: -49.449
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: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -619.189252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.189252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.189252 (E_RNA)
where:
Base-Base interactions energy: -349.494
where: short stacking energy: -175.844
Base-Backbone interact. energy: -1.400
local terms energy: -268.294679
where:
bonds (distance) C4'-P energy: -65.110
bonds (distance) P-C4' energy: -69.573
flat angles C4'-P-C4' energy: -62.598
flat angles P-C4'-P energy: -36.033
tors. eta vs tors. theta energy: -34.981
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: 8, replica: 6
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -498.437079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.437079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.437079 (E_RNA)
where:
Base-Base interactions energy: -277.615
where: short stacking energy: -123.417
Base-Backbone interact. energy: 2.167
local terms energy: -222.989691
where:
bonds (distance) C4'-P energy: -62.247
bonds (distance) P-C4' energy: -58.311
flat angles C4'-P-C4' energy: -49.794
flat angles P-C4'-P energy: -37.223
tors. eta vs tors. theta energy: -15.415
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: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -389.909274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.909274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.909274 (E_RNA)
where:
Base-Base interactions energy: -199.351
where: short stacking energy: -102.391
Base-Backbone interact. energy: 0.277
local terms energy: -190.834642
where:
bonds (distance) C4'-P energy: -59.525
bonds (distance) P-C4' energy: -51.362
flat angles C4'-P-C4' energy: -51.811
flat angles P-C4'-P energy: -19.192
tors. eta vs tors. theta energy: -8.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -277.599602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.599602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.599602 (E_RNA)
where:
Base-Base interactions energy: -90.473
where: short stacking energy: -69.224
Base-Backbone interact. energy: 1.034
local terms energy: -188.160455
where:
bonds (distance) C4'-P energy: -59.742
bonds (distance) P-C4' energy: -55.467
flat angles C4'-P-C4' energy: -50.840
flat angles P-C4'-P energy: -25.221
tors. eta vs tors. theta energy: 3.108
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: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1069.665152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.665152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.665152 (E_RNA)
where:
Base-Base interactions energy: -746.404
where: short stacking energy: -309.724
Base-Backbone interact. energy: -1.774
local terms energy: -321.487204
where:
bonds (distance) C4'-P energy: -58.109
bonds (distance) P-C4' energy: -67.670
flat angles C4'-P-C4' energy: -77.998
flat angles P-C4'-P energy: -44.023
tors. eta vs tors. theta energy: -73.687
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: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1028.652963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.652963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.652963 (E_RNA)
where:
Base-Base interactions energy: -687.827
where: short stacking energy: -285.015
Base-Backbone interact. energy: -4.467
local terms energy: -336.359452
where:
bonds (distance) C4'-P energy: -62.367
bonds (distance) P-C4' energy: -69.735
flat angles C4'-P-C4' energy: -71.491
flat angles P-C4'-P energy: -47.469
tors. eta vs tors. theta energy: -85.297
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: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -927.461623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.461623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.461623 (E_RNA)
where:
Base-Base interactions energy: -615.585
where: short stacking energy: -269.866
Base-Backbone interact. energy: -1.503
local terms energy: -310.373221
where:
bonds (distance) C4'-P energy: -50.259
bonds (distance) P-C4' energy: -71.030
flat angles C4'-P-C4' energy: -67.766
flat angles P-C4'-P energy: -52.051
tors. eta vs tors. theta energy: -69.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -924.850509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.850509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.850509 (E_RNA)
where:
Base-Base interactions energy: -613.312
where: short stacking energy: -261.282
Base-Backbone interact. energy: -2.392
local terms energy: -309.146704
where:
bonds (distance) C4'-P energy: -60.454
bonds (distance) P-C4' energy: -67.969
flat angles C4'-P-C4' energy: -59.965
flat angles P-C4'-P energy: -44.475
tors. eta vs tors. theta energy: -76.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -814.660470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.660470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.660470 (E_RNA)
where:
Base-Base interactions energy: -530.833
where: short stacking energy: -254.056
Base-Backbone interact. energy: 0.309
local terms energy: -284.136765
where:
bonds (distance) C4'-P energy: -52.976
bonds (distance) P-C4' energy: -49.256
flat angles C4'-P-C4' energy: -72.757
flat angles P-C4'-P energy: -43.547
tors. eta vs tors. theta energy: -65.600
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: 6, replica: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -714.744400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.744400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.744400 (E_RNA)
where:
Base-Base interactions energy: -429.922
where: short stacking energy: -205.256
Base-Backbone interact. energy: -1.264
local terms energy: -283.558180
where:
bonds (distance) C4'-P energy: -62.084
bonds (distance) P-C4' energy: -61.873
flat angles C4'-P-C4' energy: -62.986
flat angles P-C4'-P energy: -41.582
tors. eta vs tors. theta energy: -55.032
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: 1
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -620.603595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.603595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.603595 (E_RNA)
where:
Base-Base interactions energy: -373.533
where: short stacking energy: -192.178
Base-Backbone interact. energy: -1.214
local terms energy: -245.856181
where:
bonds (distance) C4'-P energy: -42.650
bonds (distance) P-C4' energy: -65.255
flat angles C4'-P-C4' energy: -61.787
flat angles P-C4'-P energy: -43.374
tors. eta vs tors. theta energy: -32.790
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: 6
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -450.145780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.145780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.145780 (E_RNA)
where:
Base-Base interactions energy: -237.462
where: short stacking energy: -130.401
Base-Backbone interact. energy: -0.189
local terms energy: -212.495421
where:
bonds (distance) C4'-P energy: -55.683
bonds (distance) P-C4' energy: -54.638
flat angles C4'-P-C4' energy: -47.357
flat angles P-C4'-P energy: -44.689
tors. eta vs tors. theta energy: -10.129
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: 9, replica: 3
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -376.144556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.144556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.144556 (E_RNA)
where:
Base-Base interactions energy: -188.808
where: short stacking energy: -110.131
Base-Backbone interact. energy: -1.363
local terms energy: -185.973562
where:
bonds (distance) C4'-P energy: -47.145
bonds (distance) P-C4' energy: -37.336
flat angles C4'-P-C4' energy: -60.076
flat angles P-C4'-P energy: -28.367
tors. eta vs tors. theta energy: -13.049
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: 10, replica: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -294.349589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.349589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.349589 (E_RNA)
where:
Base-Base interactions energy: -125.699
where: short stacking energy: -79.349
Base-Backbone interact. energy: 6.790
local terms energy: -175.441014
where:
bonds (distance) C4'-P energy: -55.182
bonds (distance) P-C4' energy: -63.039
flat angles C4'-P-C4' energy: -49.159
flat angles P-C4'-P energy: -26.759
tors. eta vs tors. theta energy: 18.698
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: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1053.561704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.561704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.561704 (E_RNA)
where:
Base-Base interactions energy: -717.828
where: short stacking energy: -296.031
Base-Backbone interact. energy: -2.751
local terms energy: -332.982744
where:
bonds (distance) C4'-P energy: -64.793
bonds (distance) P-C4' energy: -66.245
flat angles C4'-P-C4' energy: -75.419
flat angles P-C4'-P energy: -49.089
tors. eta vs tors. theta energy: -77.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1054.439358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.439358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.439358 (E_RNA)
where:
Base-Base interactions energy: -711.906
where: short stacking energy: -310.757
Base-Backbone interact. energy: -2.285
local terms energy: -340.247979
where:
bonds (distance) C4'-P energy: -68.124
bonds (distance) P-C4' energy: -62.359
flat angles C4'-P-C4' energy: -74.287
flat angles P-C4'-P energy: -41.401
tors. eta vs tors. theta energy: -94.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -925.340192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.340192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.340192 (E_RNA)
where:
Base-Base interactions energy: -610.643
where: short stacking energy: -295.478
Base-Backbone interact. energy: -0.666
local terms energy: -314.031034
where:
bonds (distance) C4'-P energy: -52.392
bonds (distance) P-C4' energy: -62.525
flat angles C4'-P-C4' energy: -67.490
flat angles P-C4'-P energy: -42.405
tors. eta vs tors. theta energy: -89.219
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: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -929.097402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.097402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.097402 (E_RNA)
where:
Base-Base interactions energy: -618.422
where: short stacking energy: -275.764
Base-Backbone interact. energy: -1.007
local terms energy: -309.668762
where:
bonds (distance) C4'-P energy: -62.332
bonds (distance) P-C4' energy: -54.142
flat angles C4'-P-C4' energy: -60.465
flat angles P-C4'-P energy: -53.981
tors. eta vs tors. theta energy: -78.748
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: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -776.417369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.417369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.417369 (E_RNA)
where:
Base-Base interactions energy: -492.786
where: short stacking energy: -222.969
Base-Backbone interact. energy: -2.549
local terms energy: -281.081991
where:
bonds (distance) C4'-P energy: -53.654
bonds (distance) P-C4' energy: -55.914
flat angles C4'-P-C4' energy: -65.281
flat angles P-C4'-P energy: -41.483
tors. eta vs tors. theta energy: -64.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -641.991587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.991587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.991587 (E_RNA)
where:
Base-Base interactions energy: -397.799
where: short stacking energy: -183.421
Base-Backbone interact. energy: -2.704
local terms energy: -241.488143
where:
bonds (distance) C4'-P energy: -53.363
bonds (distance) P-C4' energy: -71.584
flat angles C4'-P-C4' energy: -49.561
flat angles P-C4'-P energy: -34.594
tors. eta vs tors. theta energy: -32.387
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: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -590.193826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.193826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.193826 (E_RNA)
where:
Base-Base interactions energy: -366.990
where: short stacking energy: -161.680
Base-Backbone interact. energy: -1.814
local terms energy: -221.389662
where:
bonds (distance) C4'-P energy: -47.059
bonds (distance) P-C4' energy: -47.817
flat angles C4'-P-C4' energy: -61.803
flat angles P-C4'-P energy: -39.813
tors. eta vs tors. theta energy: -24.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -462.175724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.175724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.175724 (E_RNA)
where:
Base-Base interactions energy: -251.789
where: short stacking energy: -118.152
Base-Backbone interact. energy: -1.599
local terms energy: -208.786900
where:
bonds (distance) C4'-P energy: -53.648
bonds (distance) P-C4' energy: -47.899
flat angles C4'-P-C4' energy: -58.891
flat angles P-C4'-P energy: -39.507
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -349.092945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.092945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.092945 (E_RNA)
where:
Base-Base interactions energy: -162.877
where: short stacking energy: -98.588
Base-Backbone interact. energy: -2.615
local terms energy: -183.601349
where:
bonds (distance) C4'-P energy: -54.099
bonds (distance) P-C4' energy: -67.342
flat angles C4'-P-C4' energy: -42.379
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: 4.741
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: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -277.234108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.234108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.234108 (E_RNA)
where:
Base-Base interactions energy: -104.531
where: short stacking energy: -75.750
Base-Backbone interact. energy: 0.468
local terms energy: -173.170911
where:
bonds (distance) C4'-P energy: -60.471
bonds (distance) P-C4' energy: -56.099
flat angles C4'-P-C4' energy: -42.522
flat angles P-C4'-P energy: -25.034
tors. eta vs tors. theta energy: 10.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1030.653901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.653901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.653901 (E_RNA)
where:
Base-Base interactions energy: -690.744
where: short stacking energy: -298.657
Base-Backbone interact. energy: 1.069
local terms energy: -340.978679
where:
bonds (distance) C4'-P energy: -73.062
bonds (distance) P-C4' energy: -68.149
flat angles C4'-P-C4' energy: -68.891
flat angles P-C4'-P energy: -51.232
tors. eta vs tors. theta energy: -79.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1046.912758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.912758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.912758 (E_RNA)
where:
Base-Base interactions energy: -696.194
where: short stacking energy: -320.113
Base-Backbone interact. energy: -4.552
local terms energy: -346.166587
where:
bonds (distance) C4'-P energy: -67.039
bonds (distance) P-C4' energy: -68.746
flat angles C4'-P-C4' energy: -62.151
flat angles P-C4'-P energy: -57.701
tors. eta vs tors. theta energy: -90.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -941.905497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.905497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.905497 (E_RNA)
where:
Base-Base interactions energy: -606.128
where: short stacking energy: -264.424
Base-Backbone interact. energy: 1.982
local terms energy: -337.759635
where:
bonds (distance) C4'-P energy: -65.474
bonds (distance) P-C4' energy: -66.425
flat angles C4'-P-C4' energy: -62.645
flat angles P-C4'-P energy: -52.685
tors. eta vs tors. theta energy: -90.530
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: 7
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -931.103097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.103097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.103097 (E_RNA)
where:
Base-Base interactions energy: -631.616
where: short stacking energy: -266.964
Base-Backbone interact. energy: -0.595
local terms energy: -299.073124
where:
bonds (distance) C4'-P energy: -65.870
bonds (distance) P-C4' energy: -65.874
flat angles C4'-P-C4' energy: -57.099
flat angles P-C4'-P energy: -41.911
tors. eta vs tors. theta energy: -68.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.181 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -759.581374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.581374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.581374 (E_RNA)
where:
Base-Base interactions energy: -490.462
where: short stacking energy: -221.069
Base-Backbone interact. energy: 1.310
local terms energy: -271.278861
where:
bonds (distance) C4'-P energy: -59.225
bonds (distance) P-C4' energy: -62.384
flat angles C4'-P-C4' energy: -57.272
flat angles P-C4'-P energy: -46.425
tors. eta vs tors. theta energy: -45.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.849 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -617.200016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.200016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.200016 (E_RNA)
where:
Base-Base interactions energy: -379.648
where: short stacking energy: -171.525
Base-Backbone interact. energy: -1.928
local terms energy: -235.624561
where:
bonds (distance) C4'-P energy: -59.043
bonds (distance) P-C4' energy: -68.418
flat angles C4'-P-C4' energy: -55.133
flat angles P-C4'-P energy: -24.974
tors. eta vs tors. theta energy: -28.056
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: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -534.842830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.842830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.842830 (E_RNA)
where:
Base-Base interactions energy: -325.336
where: short stacking energy: -156.291
Base-Backbone interact. energy: -0.396
local terms energy: -209.111263
where:
bonds (distance) C4'-P energy: -52.260
bonds (distance) P-C4' energy: -68.083
flat angles C4'-P-C4' energy: -46.142
flat angles P-C4'-P energy: -32.326
tors. eta vs tors. theta energy: -10.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -459.910251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.910251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.910251 (E_RNA)
where:
Base-Base interactions energy: -245.333
where: short stacking energy: -138.556
Base-Backbone interact. energy: -0.791
local terms energy: -213.786966
where:
bonds (distance) C4'-P energy: -57.201
bonds (distance) P-C4' energy: -55.436
flat angles C4'-P-C4' energy: -48.672
flat angles P-C4'-P energy: -37.481
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -357.788974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.788974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.788974 (E_RNA)
where:
Base-Base interactions energy: -172.620
where: short stacking energy: -106.190
Base-Backbone interact. energy: 1.208
local terms energy: -186.376971
where:
bonds (distance) C4'-P energy: -52.089
bonds (distance) P-C4' energy: -64.847
flat angles C4'-P-C4' energy: -53.733
flat angles P-C4'-P energy: -22.757
tors. eta vs tors. theta energy: 7.049
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: 10, replica: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -259.850139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.850139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.850139 (E_RNA)
where:
Base-Base interactions energy: -86.061
where: short stacking energy: -65.598
Base-Backbone interact. energy: -0.854
local terms energy: -173.405743
where:
bonds (distance) C4'-P energy: -58.143
bonds (distance) P-C4' energy: -48.880
flat angles C4'-P-C4' energy: -55.593
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: 11.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.471 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1048.571135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.571135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.571135 (E_RNA)
where:
Base-Base interactions energy: -705.758
where: short stacking energy: -307.341
Base-Backbone interact. energy: -4.036
local terms energy: -338.777350
where:
bonds (distance) C4'-P energy: -62.866
bonds (distance) P-C4' energy: -63.549
flat angles C4'-P-C4' energy: -74.337
flat angles P-C4'-P energy: -55.314
tors. eta vs tors. theta energy: -82.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1019.691121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.691121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.691121 (E_RNA)
where:
Base-Base interactions energy: -679.164
where: short stacking energy: -305.625
Base-Backbone interact. energy: -1.518
local terms energy: -339.008635
where:
bonds (distance) C4'-P energy: -70.803
bonds (distance) P-C4' energy: -64.120
flat angles C4'-P-C4' energy: -70.565
flat angles P-C4'-P energy: -50.835
tors. eta vs tors. theta energy: -82.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -947.578266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.578266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.578266 (E_RNA)
where:
Base-Base interactions energy: -618.452
where: short stacking energy: -293.646
Base-Backbone interact. energy: -0.811
local terms energy: -328.315409
where:
bonds (distance) C4'-P energy: -60.677
bonds (distance) P-C4' energy: -63.259
flat angles C4'-P-C4' energy: -61.626
flat angles P-C4'-P energy: -49.554
tors. eta vs tors. theta energy: -93.199
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: 7
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -904.900400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.900400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.900400 (E_RNA)
where:
Base-Base interactions energy: -624.091
where: short stacking energy: -275.144
Base-Backbone interact. energy: 2.344
local terms energy: -283.153509
where:
bonds (distance) C4'-P energy: -54.617
bonds (distance) P-C4' energy: -59.115
flat angles C4'-P-C4' energy: -66.109
flat angles P-C4'-P energy: -33.743
tors. eta vs tors. theta energy: -69.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -796.430552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.430552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.430552 (E_RNA)
where:
Base-Base interactions energy: -498.146
where: short stacking energy: -222.367
Base-Backbone interact. energy: -2.250
local terms energy: -296.034148
where:
bonds (distance) C4'-P energy: -64.963
bonds (distance) P-C4' energy: -66.381
flat angles C4'-P-C4' energy: -60.534
flat angles P-C4'-P energy: -39.584
tors. eta vs tors. theta energy: -64.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -634.937436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.937436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.937436 (E_RNA)
where:
Base-Base interactions energy: -396.342
where: short stacking energy: -179.468
Base-Backbone interact. energy: -1.830
local terms energy: -236.765286
where:
bonds (distance) C4'-P energy: -56.491
bonds (distance) P-C4' energy: -62.593
flat angles C4'-P-C4' energy: -42.198
flat angles P-C4'-P energy: -38.712
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: 7, replica: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -557.300480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.300480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.300480 (E_RNA)
where:
Base-Base interactions energy: -347.237
where: short stacking energy: -186.127
Base-Backbone interact. energy: -0.112
local terms energy: -209.951364
where:
bonds (distance) C4'-P energy: -48.403
bonds (distance) P-C4' energy: -54.207
flat angles C4'-P-C4' energy: -54.399
flat angles P-C4'-P energy: -26.693
tors. eta vs tors. theta energy: -26.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -453.055601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.055601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.055601 (E_RNA)
where:
Base-Base interactions energy: -237.425
where: short stacking energy: -129.268
Base-Backbone interact. energy: -1.157
local terms energy: -214.473159
where:
bonds (distance) C4'-P energy: -56.868
bonds (distance) P-C4' energy: -58.393
flat angles C4'-P-C4' energy: -43.018
flat angles P-C4'-P energy: -35.705
tors. eta vs tors. theta energy: -20.489
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: 3
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -391.831155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.831155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.831155 (E_RNA)
where:
Base-Base interactions energy: -201.951
where: short stacking energy: -102.095
Base-Backbone interact. energy: -0.900
local terms energy: -188.980031
where:
bonds (distance) C4'-P energy: -55.305
bonds (distance) P-C4' energy: -64.494
flat angles C4'-P-C4' energy: -42.520
flat angles P-C4'-P energy: -24.928
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -336.835358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.835358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.835358 (E_RNA)
where:
Base-Base interactions energy: -155.343
where: short stacking energy: -93.572
Base-Backbone interact. energy: 6.290
local terms energy: -187.782065
where:
bonds (distance) C4'-P energy: -62.234
bonds (distance) P-C4' energy: -53.124
flat angles C4'-P-C4' energy: -38.688
flat angles P-C4'-P energy: -32.774
tors. eta vs tors. theta energy: -0.962
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: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1048.051739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.051739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.051739 (E_RNA)
where:
Base-Base interactions energy: -718.036
where: short stacking energy: -330.313
Base-Backbone interact. energy: -0.599
local terms energy: -329.416852
where:
bonds (distance) C4'-P energy: -62.224
bonds (distance) P-C4' energy: -68.880
flat angles C4'-P-C4' energy: -68.208
flat angles P-C4'-P energy: -39.637
tors. eta vs tors. theta energy: -90.468
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: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1001.439909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.439909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.439909 (E_RNA)
where:
Base-Base interactions energy: -685.542
where: short stacking energy: -283.292
Base-Backbone interact. energy: -4.116
local terms energy: -311.781815
where:
bonds (distance) C4'-P energy: -60.932
bonds (distance) P-C4' energy: -61.682
flat angles C4'-P-C4' energy: -71.431
flat angles P-C4'-P energy: -40.692
tors. eta vs tors. theta energy: -77.044
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: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -927.604336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.604336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.604336 (E_RNA)
where:
Base-Base interactions energy: -605.094
where: short stacking energy: -282.953
Base-Backbone interact. energy: -1.679
local terms energy: -320.832004
where:
bonds (distance) C4'-P energy: -67.896
bonds (distance) P-C4' energy: -59.045
flat angles C4'-P-C4' energy: -67.713
flat angles P-C4'-P energy: -46.033
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: 4, replica: 7
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -899.165542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.165542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.165542 (E_RNA)
where:
Base-Base interactions energy: -600.324
where: short stacking energy: -231.415
Base-Backbone interact. energy: -1.747
local terms energy: -297.094655
where:
bonds (distance) C4'-P energy: -67.115
bonds (distance) P-C4' energy: -72.635
flat angles C4'-P-C4' energy: -62.863
flat angles P-C4'-P energy: -37.573
tors. eta vs tors. theta energy: -56.909
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: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -785.663623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.663623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.663623 (E_RNA)
where:
Base-Base interactions energy: -502.221
where: short stacking energy: -227.582
Base-Backbone interact. energy: 0.112
local terms energy: -283.554230
where:
bonds (distance) C4'-P energy: -54.252
bonds (distance) P-C4' energy: -64.073
flat angles C4'-P-C4' energy: -72.148
flat angles P-C4'-P energy: -41.540
tors. eta vs tors. theta energy: -51.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -699.347747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.347747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.347747 (E_RNA)
where:
Base-Base interactions energy: -440.465
where: short stacking energy: -188.608
Base-Backbone interact. energy: -1.672
local terms energy: -257.211066
where:
bonds (distance) C4'-P energy: -55.024
bonds (distance) P-C4' energy: -67.653
flat angles C4'-P-C4' energy: -53.586
flat angles P-C4'-P energy: -39.083
tors. eta vs tors. theta energy: -41.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -528.900583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.900583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.900583 (E_RNA)
where:
Base-Base interactions energy: -321.571
where: short stacking energy: -149.892
Base-Backbone interact. energy: 0.705
local terms energy: -208.034622
where:
bonds (distance) C4'-P energy: -61.578
bonds (distance) P-C4' energy: -52.353
flat angles C4'-P-C4' energy: -49.527
flat angles P-C4'-P energy: -34.147
tors. eta vs tors. theta energy: -10.428
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: 8, replica: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -408.089986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.089986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.089986 (E_RNA)
where:
Base-Base interactions energy: -207.635
where: short stacking energy: -130.975
Base-Backbone interact. energy: -1.338
local terms energy: -199.117154
where:
bonds (distance) C4'-P energy: -41.005
bonds (distance) P-C4' energy: -42.776
flat angles C4'-P-C4' energy: -54.099
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: -23.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -439.780343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.780343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.780343 (E_RNA)
where:
Base-Base interactions energy: -236.174
where: short stacking energy: -134.253
Base-Backbone interact. energy: 0.575
local terms energy: -204.181953
where:
bonds (distance) C4'-P energy: -60.570
bonds (distance) P-C4' energy: -58.196
flat angles C4'-P-C4' energy: -46.424
flat angles P-C4'-P energy: -25.012
tors. eta vs tors. theta energy: -13.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -293.217146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.217146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.217146 (E_RNA)
where:
Base-Base interactions energy: -110.293
where: short stacking energy: -64.317
Base-Backbone interact. energy: -0.773
local terms energy: -182.150361
where:
bonds (distance) C4'-P energy: -57.667
bonds (distance) P-C4' energy: -58.241
flat angles C4'-P-C4' energy: -38.543
flat angles P-C4'-P energy: -34.546
tors. eta vs tors. theta energy: 6.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1061.692413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.692413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.692413 (E_RNA)
where:
Base-Base interactions energy: -725.870
where: short stacking energy: -322.343
Base-Backbone interact. energy: -2.980
local terms energy: -332.842035
where:
bonds (distance) C4'-P energy: -74.834
bonds (distance) P-C4' energy: -57.831
flat angles C4'-P-C4' energy: -63.679
flat angles P-C4'-P energy: -48.718
tors. eta vs tors. theta energy: -87.780
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: 2, replica: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -994.659289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.659289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.659289 (E_RNA)
where:
Base-Base interactions energy: -675.651
where: short stacking energy: -281.991
Base-Backbone interact. energy: -4.263
local terms energy: -314.745755
where:
bonds (distance) C4'-P energy: -60.398
bonds (distance) P-C4' energy: -61.064
flat angles C4'-P-C4' energy: -71.396
flat angles P-C4'-P energy: -46.152
tors. eta vs tors. theta energy: -75.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -941.556538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.556538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.556538 (E_RNA)
where:
Base-Base interactions energy: -626.031
where: short stacking energy: -260.464
Base-Backbone interact. energy: -1.225
local terms energy: -314.300668
where:
bonds (distance) C4'-P energy: -53.817
bonds (distance) P-C4' energy: -62.628
flat angles C4'-P-C4' energy: -71.835
flat angles P-C4'-P energy: -52.179
tors. eta vs tors. theta energy: -73.841
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: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -923.090324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.090324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.090324 (E_RNA)
where:
Base-Base interactions energy: -608.719
where: short stacking energy: -275.478
Base-Backbone interact. energy: -0.585
local terms energy: -313.815693
where:
bonds (distance) C4'-P energy: -61.645
bonds (distance) P-C4' energy: -72.965
flat angles C4'-P-C4' energy: -63.018
flat angles P-C4'-P energy: -29.675
tors. eta vs tors. theta energy: -86.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.030 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -767.109990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.109990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.109990 (E_RNA)
where:
Base-Base interactions energy: -478.568
where: short stacking energy: -232.652
Base-Backbone interact. energy: -0.777
local terms energy: -287.765261
where:
bonds (distance) C4'-P energy: -58.814
bonds (distance) P-C4' energy: -59.393
flat angles C4'-P-C4' energy: -61.148
flat angles P-C4'-P energy: -41.880
tors. eta vs tors. theta energy: -66.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -668.441903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.441903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.441903 (E_RNA)
where:
Base-Base interactions energy: -429.342
where: short stacking energy: -194.020
Base-Backbone interact. energy: -2.415
local terms energy: -236.685096
where:
bonds (distance) C4'-P energy: -53.107
bonds (distance) P-C4' energy: -45.751
flat angles C4'-P-C4' energy: -48.089
flat angles P-C4'-P energy: -45.666
tors. eta vs tors. theta energy: -44.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -569.883104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.883104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.883104 (E_RNA)
where:
Base-Base interactions energy: -319.894
where: short stacking energy: -156.100
Base-Backbone interact. energy: -2.807
local terms energy: -247.182840
where:
bonds (distance) C4'-P energy: -45.135
bonds (distance) P-C4' energy: -57.829
flat angles C4'-P-C4' energy: -64.900
flat angles P-C4'-P energy: -45.729
tors. eta vs tors. theta energy: -33.591
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: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -407.104959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.104959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.104959 (E_RNA)
where:
Base-Base interactions energy: -188.222
where: short stacking energy: -120.477
Base-Backbone interact. energy: -1.311
local terms energy: -217.572450
where:
bonds (distance) C4'-P energy: -58.584
bonds (distance) P-C4' energy: -59.600
flat angles C4'-P-C4' energy: -51.925
flat angles P-C4'-P energy: -36.140
tors. eta vs tors. theta energy: -11.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -422.866502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.866502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.866502 (E_RNA)
where:
Base-Base interactions energy: -244.794
where: short stacking energy: -116.797
Base-Backbone interact. energy: -1.968
local terms energy: -176.104753
where:
bonds (distance) C4'-P energy: -58.332
bonds (distance) P-C4' energy: -52.748
flat angles C4'-P-C4' energy: -35.353
flat angles P-C4'-P energy: -31.787
tors. eta vs tors. theta energy: 2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -343.932115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.932115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.932115 (E_RNA)
where:
Base-Base interactions energy: -181.009
where: short stacking energy: -96.733
Base-Backbone interact. energy: -1.243
local terms energy: -161.679596
where:
bonds (distance) C4'-P energy: -60.301
bonds (distance) P-C4' energy: -47.729
flat angles C4'-P-C4' energy: -34.919
flat angles P-C4'-P energy: -30.536
tors. eta vs tors. theta energy: 11.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1063.218798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.218798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.218798 (E_RNA)
where:
Base-Base interactions energy: -720.177
where: short stacking energy: -311.757
Base-Backbone interact. energy: -1.642
local terms energy: -341.399655
where:
bonds (distance) C4'-P energy: -68.832
bonds (distance) P-C4' energy: -68.308
flat angles C4'-P-C4' energy: -71.042
flat angles P-C4'-P energy: -42.657
tors. eta vs tors. theta energy: -90.561
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: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -973.032176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.032176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.032176 (E_RNA)
where:
Base-Base interactions energy: -658.484
where: short stacking energy: -284.445
Base-Backbone interact. energy: -1.081
local terms energy: -313.467575
where:
bonds (distance) C4'-P energy: -61.732
bonds (distance) P-C4' energy: -60.952
flat angles C4'-P-C4' energy: -71.488
flat angles P-C4'-P energy: -43.468
tors. eta vs tors. theta energy: -75.827
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: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -986.661268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.661268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.661268 (E_RNA)
where:
Base-Base interactions energy: -675.319
where: short stacking energy: -268.959
Base-Backbone interact. energy: -1.433
local terms energy: -310.778992
where:
bonds (distance) C4'-P energy: -55.605
bonds (distance) P-C4' energy: -68.758
flat angles C4'-P-C4' energy: -67.037
flat angles P-C4'-P energy: -47.004
tors. eta vs tors. theta energy: -72.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.870 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -934.090874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.090874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.090874 (E_RNA)
where:
Base-Base interactions energy: -611.185
where: short stacking energy: -262.009
Base-Backbone interact. energy: -1.081
local terms energy: -321.824518
where:
bonds (distance) C4'-P energy: -53.126
bonds (distance) P-C4' energy: -72.469
flat angles C4'-P-C4' energy: -70.956
flat angles P-C4'-P energy: -42.574
tors. eta vs tors. theta energy: -82.699
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: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -782.314842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.314842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.314842 (E_RNA)
where:
Base-Base interactions energy: -508.078
where: short stacking energy: -234.819
Base-Backbone interact. energy: -0.308
local terms energy: -273.928859
where:
bonds (distance) C4'-P energy: -53.608
bonds (distance) P-C4' energy: -53.423
flat angles C4'-P-C4' energy: -65.114
flat angles P-C4'-P energy: -46.053
tors. eta vs tors. theta energy: -55.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -660.765629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.765629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.765629 (E_RNA)
where:
Base-Base interactions energy: -401.857
where: short stacking energy: -196.317
Base-Backbone interact. energy: -1.605
local terms energy: -257.303617
where:
bonds (distance) C4'-P energy: -62.477
bonds (distance) P-C4' energy: -63.942
flat angles C4'-P-C4' energy: -40.879
flat angles P-C4'-P energy: -45.864
tors. eta vs tors. theta energy: -44.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -577.010037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.010037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.010037 (E_RNA)
where:
Base-Base interactions energy: -327.070
where: short stacking energy: -158.496
Base-Backbone interact. energy: -1.920
local terms energy: -248.020701
where:
bonds (distance) C4'-P energy: -54.251
bonds (distance) P-C4' energy: -63.284
flat angles C4'-P-C4' energy: -51.520
flat angles P-C4'-P energy: -43.876
tors. eta vs tors. theta energy: -35.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -459.920654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.920654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.920654 (E_RNA)
where:
Base-Base interactions energy: -250.741
where: short stacking energy: -130.002
Base-Backbone interact. energy: -0.826
local terms energy: -208.353373
where:
bonds (distance) C4'-P energy: -56.407
bonds (distance) P-C4' energy: -48.708
flat angles C4'-P-C4' energy: -38.461
flat angles P-C4'-P energy: -45.385
tors. eta vs tors. theta energy: -19.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -438.546538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.546538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.546538 (E_RNA)
where:
Base-Base interactions energy: -206.779
where: short stacking energy: -114.638
Base-Backbone interact. energy: -2.199
local terms energy: -229.567812
where:
bonds (distance) C4'-P energy: -66.636
bonds (distance) P-C4' energy: -62.995
flat angles C4'-P-C4' energy: -47.837
flat angles P-C4'-P energy: -37.076
tors. eta vs tors. theta energy: -15.023
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: 5
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -331.449169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.449169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.449169 (E_RNA)
where:
Base-Base interactions energy: -143.915
where: short stacking energy: -103.372
Base-Backbone interact. energy: -1.283
local terms energy: -186.251108
where:
bonds (distance) C4'-P energy: -46.263
bonds (distance) P-C4' energy: -48.350
flat angles C4'-P-C4' energy: -38.363
flat angles P-C4'-P energy: -45.097
tors. eta vs tors. theta energy: -8.178
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: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1068.309660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.309660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.309660 (E_RNA)
where:
Base-Base interactions energy: -723.866
where: short stacking energy: -304.791
Base-Backbone interact. energy: -1.979
local terms energy: -342.464291
where:
bonds (distance) C4'-P energy: -63.474
bonds (distance) P-C4' energy: -64.341
flat angles C4'-P-C4' energy: -76.171
flat angles P-C4'-P energy: -54.499
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: 2, replica: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1000.750874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.750874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.750874 (E_RNA)
where:
Base-Base interactions energy: -675.662
where: short stacking energy: -296.265
Base-Backbone interact. energy: -2.484
local terms energy: -322.604798
where:
bonds (distance) C4'-P energy: -63.657
bonds (distance) P-C4' energy: -64.294
flat angles C4'-P-C4' energy: -70.604
flat angles P-C4'-P energy: -48.476
tors. eta vs tors. theta energy: -75.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -996.562777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.562777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.562777 (E_RNA)
where:
Base-Base interactions energy: -681.748
where: short stacking energy: -287.418
Base-Backbone interact. energy: 0.288
local terms energy: -315.102421
where:
bonds (distance) C4'-P energy: -59.117
bonds (distance) P-C4' energy: -53.393
flat angles C4'-P-C4' energy: -70.746
flat angles P-C4'-P energy: -44.715
tors. eta vs tors. theta energy: -87.130
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: 10
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -939.278603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.278603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.278603 (E_RNA)
where:
Base-Base interactions energy: -626.332
where: short stacking energy: -278.263
Base-Backbone interact. energy: 0.550
local terms energy: -313.496317
where:
bonds (distance) C4'-P energy: -56.715
bonds (distance) P-C4' energy: -63.066
flat angles C4'-P-C4' energy: -66.646
flat angles P-C4'-P energy: -42.601
tors. eta vs tors. theta energy: -84.468
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: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -746.637799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.637799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.637799 (E_RNA)
where:
Base-Base interactions energy: -455.153
where: short stacking energy: -221.658
Base-Backbone interact. energy: -1.551
local terms energy: -289.934366
where:
bonds (distance) C4'-P energy: -60.118
bonds (distance) P-C4' energy: -57.559
flat angles C4'-P-C4' energy: -74.571
flat angles P-C4'-P energy: -42.434
tors. eta vs tors. theta energy: -55.252
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: 6, replica: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -655.051397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.051397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.051397 (E_RNA)
where:
Base-Base interactions energy: -407.723
where: short stacking energy: -185.842
Base-Backbone interact. energy: -0.566
local terms energy: -246.762350
where:
bonds (distance) C4'-P energy: -49.765
bonds (distance) P-C4' energy: -55.591
flat angles C4'-P-C4' energy: -63.731
flat angles P-C4'-P energy: -41.359
tors. eta vs tors. theta energy: -36.316
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: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -582.734717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.734717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.734717 (E_RNA)
where:
Base-Base interactions energy: -351.936
where: short stacking energy: -170.050
Base-Backbone interact. energy: -2.398
local terms energy: -228.400692
where:
bonds (distance) C4'-P energy: -60.027
bonds (distance) P-C4' energy: -58.877
flat angles C4'-P-C4' energy: -44.880
flat angles P-C4'-P energy: -30.289
tors. eta vs tors. theta energy: -34.326
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: 6
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -453.924840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.924840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.924840 (E_RNA)
where:
Base-Base interactions energy: -250.169
where: short stacking energy: -138.349
Base-Backbone interact. energy: -0.822
local terms energy: -202.934243
where:
bonds (distance) C4'-P energy: -53.141
bonds (distance) P-C4' energy: -59.784
flat angles C4'-P-C4' energy: -50.345
flat angles P-C4'-P energy: -36.710
tors. eta vs tors. theta energy: -2.954
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: 9, replica: 3
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -412.986555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.986555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.986555 (E_RNA)
where:
Base-Base interactions energy: -232.200
where: short stacking energy: -126.658
Base-Backbone interact. energy: -1.019
local terms energy: -179.767650
where:
bonds (distance) C4'-P energy: -22.440
bonds (distance) P-C4' energy: -62.414
flat angles C4'-P-C4' energy: -61.657
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -16.460
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: 10, replica: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -342.132738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.132738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.132738 (E_RNA)
where:
Base-Base interactions energy: -153.617
where: short stacking energy: -97.197
Base-Backbone interact. energy: 0.252
local terms energy: -188.767718
where:
bonds (distance) C4'-P energy: -52.034
bonds (distance) P-C4' energy: -50.794
flat angles C4'-P-C4' energy: -50.738
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1084.959411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.959411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.959411 (E_RNA)
where:
Base-Base interactions energy: -751.394
where: short stacking energy: -313.393
Base-Backbone interact. energy: -1.174
local terms energy: -332.392293
where:
bonds (distance) C4'-P energy: -64.472
bonds (distance) P-C4' energy: -63.187
flat angles C4'-P-C4' energy: -63.242
flat angles P-C4'-P energy: -54.426
tors. eta vs tors. theta energy: -87.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -986.988638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.988638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.988638 (E_RNA)
where:
Base-Base interactions energy: -648.652
where: short stacking energy: -260.524
Base-Backbone interact. energy: 0.009
local terms energy: -338.345435
where:
bonds (distance) C4'-P energy: -68.012
bonds (distance) P-C4' energy: -71.997
flat angles C4'-P-C4' energy: -73.390
flat angles P-C4'-P energy: -49.280
tors. eta vs tors. theta energy: -75.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -999.054304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.054304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.054304 (E_RNA)
where:
Base-Base interactions energy: -699.714
where: short stacking energy: -306.908
Base-Backbone interact. energy: -2.471
local terms energy: -298.355514
where:
bonds (distance) C4'-P energy: -49.487
bonds (distance) P-C4' energy: -49.670
flat angles C4'-P-C4' energy: -65.778
flat angles P-C4'-P energy: -41.506
tors. eta vs tors. theta energy: -91.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.486 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -921.847866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.847866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.847866 (E_RNA)
where:
Base-Base interactions energy: -599.285
where: short stacking energy: -271.304
Base-Backbone interact. energy: -0.450
local terms energy: -322.112219
where:
bonds (distance) C4'-P energy: -56.200
bonds (distance) P-C4' energy: -61.497
flat angles C4'-P-C4' energy: -73.685
flat angles P-C4'-P energy: -45.153
tors. eta vs tors. theta energy: -85.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -762.404931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.404931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.404931 (E_RNA)
where:
Base-Base interactions energy: -487.814
where: short stacking energy: -221.106
Base-Backbone interact. energy: -1.753
local terms energy: -272.838110
where:
bonds (distance) C4'-P energy: -58.072
bonds (distance) P-C4' energy: -55.440
flat angles C4'-P-C4' energy: -57.615
flat angles P-C4'-P energy: -41.707
tors. eta vs tors. theta energy: -60.005
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: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -655.370396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.370396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.370396 (E_RNA)
where:
Base-Base interactions energy: -412.319
where: short stacking energy: -155.047
Base-Backbone interact. energy: 0.351
local terms energy: -243.402342
where:
bonds (distance) C4'-P energy: -52.434
bonds (distance) P-C4' energy: -68.626
flat angles C4'-P-C4' energy: -53.512
flat angles P-C4'-P energy: -38.404
tors. eta vs tors. theta energy: -30.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -651.774423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.774423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.774423 (E_RNA)
where:
Base-Base interactions energy: -421.442
where: short stacking energy: -194.637
Base-Backbone interact. energy: -2.161
local terms energy: -228.171736
where:
bonds (distance) C4'-P energy: -47.560
bonds (distance) P-C4' energy: -50.116
flat angles C4'-P-C4' energy: -61.778
flat angles P-C4'-P energy: -33.558
tors. eta vs tors. theta energy: -35.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -472.496363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.496363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.496363 (E_RNA)
where:
Base-Base interactions energy: -262.568
where: short stacking energy: -152.601
Base-Backbone interact. energy: -1.875
local terms energy: -208.053281
where:
bonds (distance) C4'-P energy: -56.209
bonds (distance) P-C4' energy: -59.277
flat angles C4'-P-C4' energy: -52.745
flat angles P-C4'-P energy: -17.950
tors. eta vs tors. theta energy: -21.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -414.129560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.129560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.129560 (E_RNA)
where:
Base-Base interactions energy: -196.109
where: short stacking energy: -94.685
Base-Backbone interact. energy: 0.357
local terms energy: -218.377050
where:
bonds (distance) C4'-P energy: -54.945
bonds (distance) P-C4' energy: -67.205
flat angles C4'-P-C4' energy: -43.728
flat angles P-C4'-P energy: -43.076
tors. eta vs tors. theta energy: -9.423
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: 10, replica: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -331.444716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.444716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.444716 (E_RNA)
where:
Base-Base interactions energy: -167.330
where: short stacking energy: -102.421
Base-Backbone interact. energy: 0.329
local terms energy: -164.443418
where:
bonds (distance) C4'-P energy: -39.721
bonds (distance) P-C4' energy: -49.737
flat angles C4'-P-C4' energy: -44.734
flat angles P-C4'-P energy: -23.896
tors. eta vs tors. theta energy: -6.355
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: 1, replica: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1053.743655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.743655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.743655 (E_RNA)
where:
Base-Base interactions energy: -711.581
where: short stacking energy: -319.586
Base-Backbone interact. energy: -2.211
local terms energy: -339.951124
where:
bonds (distance) C4'-P energy: -66.980
bonds (distance) P-C4' energy: -65.040
flat angles C4'-P-C4' energy: -71.500
flat angles P-C4'-P energy: -48.101
tors. eta vs tors. theta energy: -88.330
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: 2, replica: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -981.630298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.630298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.630298 (E_RNA)
where:
Base-Base interactions energy: -662.617
where: short stacking energy: -284.061
Base-Backbone interact. energy: -4.278
local terms energy: -314.735754
where:
bonds (distance) C4'-P energy: -62.531
bonds (distance) P-C4' energy: -59.473
flat angles C4'-P-C4' energy: -67.920
flat angles P-C4'-P energy: -41.356
tors. eta vs tors. theta energy: -83.455
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: 8
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -990.790610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.790610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.790610 (E_RNA)
where:
Base-Base interactions energy: -664.097
where: short stacking energy: -286.107
Base-Backbone interact. energy: -2.616
local terms energy: -324.077462
where:
bonds (distance) C4'-P energy: -63.385
bonds (distance) P-C4' energy: -59.779
flat angles C4'-P-C4' energy: -70.945
flat angles P-C4'-P energy: -52.091
tors. eta vs tors. theta energy: -77.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -901.559656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.559656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.559656 (E_RNA)
where:
Base-Base interactions energy: -615.842
where: short stacking energy: -271.715
Base-Backbone interact. energy: -0.193
local terms energy: -285.525010
where:
bonds (distance) C4'-P energy: -52.980
bonds (distance) P-C4' energy: -56.611
flat angles C4'-P-C4' energy: -61.792
flat angles P-C4'-P energy: -47.836
tors. eta vs tors. theta energy: -66.306
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: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -821.812167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.812167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.812167 (E_RNA)
where:
Base-Base interactions energy: -551.822
where: short stacking energy: -254.229
Base-Backbone interact. energy: -1.639
local terms energy: -268.350864
where:
bonds (distance) C4'-P energy: -44.884
bonds (distance) P-C4' energy: -60.911
flat angles C4'-P-C4' energy: -65.223
flat angles P-C4'-P energy: -32.650
tors. eta vs tors. theta energy: -64.683
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: 6, replica: 1
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -661.924083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.924083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.924083 (E_RNA)
where:
Base-Base interactions energy: -432.162
where: short stacking energy: -168.188
Base-Backbone interact. energy: 1.627
local terms energy: -231.388891
where:
bonds (distance) C4'-P energy: -60.444
bonds (distance) P-C4' energy: -58.963
flat angles C4'-P-C4' energy: -59.660
flat angles P-C4'-P energy: -25.601
tors. eta vs tors. theta energy: -26.720
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: 7, replica: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -631.878915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.878915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.878915 (E_RNA)
where:
Base-Base interactions energy: -395.351
where: short stacking energy: -178.219
Base-Backbone interact. energy: -0.762
local terms energy: -235.765825
where:
bonds (distance) C4'-P energy: -55.216
bonds (distance) P-C4' energy: -55.904
flat angles C4'-P-C4' energy: -49.065
flat angles P-C4'-P energy: -39.270
tors. eta vs tors. theta energy: -36.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -530.418390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.418390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.418390 (E_RNA)
where:
Base-Base interactions energy: -305.412
where: short stacking energy: -148.331
Base-Backbone interact. energy: -0.979
local terms energy: -224.027237
where:
bonds (distance) C4'-P energy: -65.221
bonds (distance) P-C4' energy: -62.787
flat angles C4'-P-C4' energy: -48.621
flat angles P-C4'-P energy: -25.067
tors. eta vs tors. theta energy: -22.331
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: 3
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -390.443574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.443574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.443574 (E_RNA)
where:
Base-Base interactions energy: -197.225
where: short stacking energy: -103.962
Base-Backbone interact. energy: -0.340
local terms energy: -192.878813
where:
bonds (distance) C4'-P energy: -52.174
bonds (distance) P-C4' energy: -62.844
flat angles C4'-P-C4' energy: -41.497
flat angles P-C4'-P energy: -36.679
tors. eta vs tors. theta energy: 0.316
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: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -333.212470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.212470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.212470 (E_RNA)
where:
Base-Base interactions energy: -165.417
where: short stacking energy: -102.643
Base-Backbone interact. energy: -3.374
local terms energy: -164.421573
where:
bonds (distance) C4'-P energy: -52.597
bonds (distance) P-C4' energy: -57.230
flat angles C4'-P-C4' energy: -43.438
flat angles P-C4'-P energy: -18.518
tors. eta vs tors. theta energy: 7.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1070.572811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.572811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.572811 (E_RNA)
where:
Base-Base interactions energy: -724.470
where: short stacking energy: -330.900
Base-Backbone interact. energy: -2.015
local terms energy: -344.087921
where:
bonds (distance) C4'-P energy: -67.884
bonds (distance) P-C4' energy: -57.778
flat angles C4'-P-C4' energy: -79.272
flat angles P-C4'-P energy: -54.104
tors. eta vs tors. theta energy: -85.050
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: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1028.411283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.411283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.411283 (E_RNA)
where:
Base-Base interactions energy: -705.524
where: short stacking energy: -313.326
Base-Backbone interact. energy: -0.393
local terms energy: -322.494446
where:
bonds (distance) C4'-P energy: -62.815
bonds (distance) P-C4' energy: -51.520
flat angles C4'-P-C4' energy: -73.314
flat angles P-C4'-P energy: -53.140
tors. eta vs tors. theta energy: -81.705
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: 3, replica: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -956.923978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.923978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.923978 (E_RNA)
where:
Base-Base interactions energy: -644.189
where: short stacking energy: -268.506
Base-Backbone interact. energy: -1.911
local terms energy: -310.824726
where:
bonds (distance) C4'-P energy: -50.975
bonds (distance) P-C4' energy: -69.755
flat angles C4'-P-C4' energy: -69.355
flat angles P-C4'-P energy: -51.063
tors. eta vs tors. theta energy: -69.677
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: 219
Temperature: 1.050000
Total energy: -865.781618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.781618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.781618 (E_RNA)
where:
Base-Base interactions energy: -586.429
where: short stacking energy: -269.104
Base-Backbone interact. energy: 0.455
local terms energy: -279.807556
where:
bonds (distance) C4'-P energy: -55.192
bonds (distance) P-C4' energy: -52.724
flat angles C4'-P-C4' energy: -59.472
flat angles P-C4'-P energy: -31.822
tors. eta vs tors. theta energy: -80.598
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: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -865.615719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.615719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.615719 (E_RNA)
where:
Base-Base interactions energy: -577.189
where: short stacking energy: -259.669
Base-Backbone interact. energy: -1.250
local terms energy: -287.176574
where:
bonds (distance) C4'-P energy: -50.582
bonds (distance) P-C4' energy: -66.120
flat angles C4'-P-C4' energy: -62.761
flat angles P-C4'-P energy: -43.479
tors. eta vs tors. theta energy: -64.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -707.558998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.558998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.558998 (E_RNA)
where:
Base-Base interactions energy: -452.388
where: short stacking energy: -202.796
Base-Backbone interact. energy: -0.588
local terms energy: -254.582916
where:
bonds (distance) C4'-P energy: -53.410
bonds (distance) P-C4' energy: -59.667
flat angles C4'-P-C4' energy: -58.305
flat angles P-C4'-P energy: -39.472
tors. eta vs tors. theta energy: -43.728
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: 7, replica: 9
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -673.156310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.156310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.156310 (E_RNA)
where:
Base-Base interactions energy: -432.049
where: short stacking energy: -205.461
Base-Backbone interact. energy: -0.521
local terms energy: -240.586115
where:
bonds (distance) C4'-P energy: -58.699
bonds (distance) P-C4' energy: -50.084
flat angles C4'-P-C4' energy: -48.423
flat angles P-C4'-P energy: -37.153
tors. eta vs tors. theta energy: -46.227
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: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -432.714898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.714898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.714898 (E_RNA)
where:
Base-Base interactions energy: -241.060
where: short stacking energy: -134.690
Base-Backbone interact. energy: 0.202
local terms energy: -191.856638
where:
bonds (distance) C4'-P energy: -44.104
bonds (distance) P-C4' energy: -60.811
flat angles C4'-P-C4' energy: -48.813
flat angles P-C4'-P energy: -30.970
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -484.077365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.077365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.077365 (E_RNA)
where:
Base-Base interactions energy: -256.560
where: short stacking energy: -128.711
Base-Backbone interact. energy: 2.814
local terms energy: -230.331566
where:
bonds (distance) C4'-P energy: -65.772
bonds (distance) P-C4' energy: -52.241
flat angles C4'-P-C4' energy: -61.009
flat angles P-C4'-P energy: -40.085
tors. eta vs tors. theta energy: -11.225
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: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -355.756118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.756118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.756118 (E_RNA)
where:
Base-Base interactions energy: -150.434
where: short stacking energy: -76.155
Base-Backbone interact. energy: -0.543
local terms energy: -204.778856
where:
bonds (distance) C4'-P energy: -67.717
bonds (distance) P-C4' energy: -56.229
flat angles C4'-P-C4' energy: -55.841
flat angles P-C4'-P energy: -28.244
tors. eta vs tors. theta energy: 3.253
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: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1064.798961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.798961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.798961 (E_RNA)
where:
Base-Base interactions energy: -717.010
where: short stacking energy: -319.611
Base-Backbone interact. energy: -1.803
local terms energy: -345.986360
where:
bonds (distance) C4'-P energy: -61.998
bonds (distance) P-C4' energy: -69.149
flat angles C4'-P-C4' energy: -61.835
flat angles P-C4'-P energy: -60.638
tors. eta vs tors. theta energy: -92.366
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: 2, replica: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1004.153831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.153831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.153831 (E_RNA)
where:
Base-Base interactions energy: -672.319
where: short stacking energy: -296.582
Base-Backbone interact. energy: -2.723
local terms energy: -329.239486
where:
bonds (distance) C4'-P energy: -66.547
bonds (distance) P-C4' energy: -63.968
flat angles C4'-P-C4' energy: -71.168
flat angles P-C4'-P energy: -51.367
tors. eta vs tors. theta energy: -76.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.128 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -966.752071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.752071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.752071 (E_RNA)
where:
Base-Base interactions energy: -666.707
where: short stacking energy: -280.787
Base-Backbone interact. energy: -0.237
local terms energy: -299.807946
where:
bonds (distance) C4'-P energy: -55.346
bonds (distance) P-C4' energy: -63.119
flat angles C4'-P-C4' energy: -65.744
flat angles P-C4'-P energy: -39.148
tors. eta vs tors. theta energy: -76.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -840.381558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.381558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.381558 (E_RNA)
where:
Base-Base interactions energy: -548.641
where: short stacking energy: -233.950
Base-Backbone interact. energy: 0.137
local terms energy: -291.877572
where:
bonds (distance) C4'-P energy: -58.773
bonds (distance) P-C4' energy: -55.702
flat angles C4'-P-C4' energy: -58.049
flat angles P-C4'-P energy: -50.419
tors. eta vs tors. theta energy: -68.934
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: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -880.407821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.407821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.407821 (E_RNA)
where:
Base-Base interactions energy: -561.200
where: short stacking energy: -256.466
Base-Backbone interact. energy: -1.101
local terms energy: -318.106713
where:
bonds (distance) C4'-P energy: -50.272
bonds (distance) P-C4' energy: -68.925
flat angles C4'-P-C4' energy: -71.408
flat angles P-C4'-P energy: -47.913
tors. eta vs tors. theta energy: -79.588
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: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -666.011404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.011404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.011404 (E_RNA)
where:
Base-Base interactions energy: -427.065
where: short stacking energy: -161.926
Base-Backbone interact. energy: -0.453
local terms energy: -238.493852
where:
bonds (distance) C4'-P energy: -56.304
bonds (distance) P-C4' energy: -60.098
flat angles C4'-P-C4' energy: -59.311
flat angles P-C4'-P energy: -39.115
tors. eta vs tors. theta energy: -23.666
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: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -689.660524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.660524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.660524 (E_RNA)
where:
Base-Base interactions energy: -433.759
where: short stacking energy: -189.392
Base-Backbone interact. energy: 2.067
local terms energy: -257.969116
where:
bonds (distance) C4'-P energy: -54.473
bonds (distance) P-C4' energy: -61.701
flat angles C4'-P-C4' energy: -68.149
flat angles P-C4'-P energy: -35.114
tors. eta vs tors. theta energy: -38.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -434.941503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.941503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.941503 (E_RNA)
where:
Base-Base interactions energy: -245.583
where: short stacking energy: -136.446
Base-Backbone interact. energy: 0.423
local terms energy: -189.781448
where:
bonds (distance) C4'-P energy: -45.160
bonds (distance) P-C4' energy: -67.787
flat angles C4'-P-C4' energy: -50.634
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -9.178
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: 220
Temperature: 1.300000
Total energy: -451.255256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.255256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.255256 (E_RNA)
where:
Base-Base interactions energy: -244.345
where: short stacking energy: -125.173
Base-Backbone interact. energy: 0.039
local terms energy: -206.948696
where:
bonds (distance) C4'-P energy: -64.937
bonds (distance) P-C4' energy: -57.612
flat angles C4'-P-C4' energy: -46.173
flat angles P-C4'-P energy: -28.313
tors. eta vs tors. theta energy: -9.914
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: 10, replica: 5
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -362.982677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.982677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.982677 (E_RNA)
where:
Base-Base interactions energy: -155.633
where: short stacking energy: -97.071
Base-Backbone interact. energy: -0.632
local terms energy: -206.717015
where:
bonds (distance) C4'-P energy: -56.308
bonds (distance) P-C4' energy: -64.643
flat angles C4'-P-C4' energy: -48.138
flat angles P-C4'-P energy: -33.922
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1065.413012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.413012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.413012 (E_RNA)
where:
Base-Base interactions energy: -730.438
where: short stacking energy: -303.813
Base-Backbone interact. energy: -1.987
local terms energy: -332.988550
where:
bonds (distance) C4'-P energy: -66.362
bonds (distance) P-C4' energy: -59.665
flat angles C4'-P-C4' energy: -74.092
flat angles P-C4'-P energy: -49.639
tors. eta vs tors. theta energy: -83.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1008.764969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.764969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.764969 (E_RNA)
where:
Base-Base interactions energy: -679.226
where: short stacking energy: -275.659
Base-Backbone interact. energy: -1.658
local terms energy: -327.880036
where:
bonds (distance) C4'-P energy: -73.130
bonds (distance) P-C4' energy: -65.709
flat angles C4'-P-C4' energy: -69.842
flat angles P-C4'-P energy: -41.695
tors. eta vs tors. theta energy: -77.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -994.072558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.072558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.072558 (E_RNA)
where:
Base-Base interactions energy: -682.031
where: short stacking energy: -292.314
Base-Backbone interact. energy: -1.656
local terms energy: -310.386416
where:
bonds (distance) C4'-P energy: -59.025
bonds (distance) P-C4' energy: -67.651
flat angles C4'-P-C4' energy: -61.560
flat angles P-C4'-P energy: -41.188
tors. eta vs tors. theta energy: -80.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -892.796111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.796111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.796111 (E_RNA)
where:
Base-Base interactions energy: -566.480
where: short stacking energy: -268.061
Base-Backbone interact. energy: -0.669
local terms energy: -325.647471
where:
bonds (distance) C4'-P energy: -60.144
bonds (distance) P-C4' energy: -72.032
flat angles C4'-P-C4' energy: -72.086
flat angles P-C4'-P energy: -42.679
tors. eta vs tors. theta energy: -78.706
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: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -820.136924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.136924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.136924 (E_RNA)
where:
Base-Base interactions energy: -533.026
where: short stacking energy: -248.820
Base-Backbone interact. energy: -0.906
local terms energy: -286.204631
where:
bonds (distance) C4'-P energy: -44.830
bonds (distance) P-C4' energy: -67.093
flat angles C4'-P-C4' energy: -64.576
flat angles P-C4'-P energy: -44.210
tors. eta vs tors. theta energy: -65.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -692.204156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.204156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.204156 (E_RNA)
where:
Base-Base interactions energy: -470.645
where: short stacking energy: -183.130
Base-Backbone interact. energy: 2.768
local terms energy: -224.327702
where:
bonds (distance) C4'-P energy: -52.087
bonds (distance) P-C4' energy: -56.969
flat angles C4'-P-C4' energy: -49.789
flat angles P-C4'-P energy: -33.431
tors. eta vs tors. theta energy: -32.052
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: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -686.366036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.366036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.366036 (E_RNA)
where:
Base-Base interactions energy: -432.767
where: short stacking energy: -185.622
Base-Backbone interact. energy: -1.441
local terms energy: -252.158522
where:
bonds (distance) C4'-P energy: -51.635
bonds (distance) P-C4' energy: -52.670
flat angles C4'-P-C4' energy: -58.219
flat angles P-C4'-P energy: -39.549
tors. eta vs tors. theta energy: -50.085
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: 6
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -473.851232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.851232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.851232 (E_RNA)
where:
Base-Base interactions energy: -247.702
where: short stacking energy: -136.257
Base-Backbone interact. energy: 0.200
local terms energy: -227.134588
where:
bonds (distance) C4'-P energy: -61.869
bonds (distance) P-C4' energy: -57.462
flat angles C4'-P-C4' energy: -48.337
flat angles P-C4'-P energy: -34.729
tors. eta vs tors. theta energy: -24.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.785 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -413.816142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.816142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.816142 (E_RNA)
where:
Base-Base interactions energy: -216.948
where: short stacking energy: -114.009
Base-Backbone interact. energy: -2.077
local terms energy: -194.791427
where:
bonds (distance) C4'-P energy: -53.331
bonds (distance) P-C4' energy: -63.847
flat angles C4'-P-C4' energy: -45.241
flat angles P-C4'-P energy: -35.439
tors. eta vs tors. theta energy: 3.067
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: 10, replica: 5
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -339.595854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.595854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.595854 (E_RNA)
where:
Base-Base interactions energy: -153.572
where: short stacking energy: -103.782
Base-Backbone interact. energy: -0.795
local terms energy: -185.229399
where:
bonds (distance) C4'-P energy: -64.347
bonds (distance) P-C4' energy: -57.753
flat angles C4'-P-C4' energy: -42.394
flat angles P-C4'-P energy: -23.553
tors. eta vs tors. theta energy: 2.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1075.428718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.428718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.428718 (E_RNA)
where:
Base-Base interactions energy: -726.887
where: short stacking energy: -313.909
Base-Backbone interact. energy: -1.629
local terms energy: -346.912707
where:
bonds (distance) C4'-P energy: -63.613
bonds (distance) P-C4' energy: -61.093
flat angles C4'-P-C4' energy: -72.248
flat angles P-C4'-P energy: -54.696
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: 2, replica: 7
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1010.127700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.127700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.127700 (E_RNA)
where:
Base-Base interactions energy: -683.660
where: short stacking energy: -288.088
Base-Backbone interact. energy: -1.086
local terms energy: -325.381424
where:
bonds (distance) C4'-P energy: -58.983
bonds (distance) P-C4' energy: -68.477
flat angles C4'-P-C4' energy: -72.470
flat angles P-C4'-P energy: -44.254
tors. eta vs tors. theta energy: -81.197
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: 3, replica: 8
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -998.262795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.262795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.262795 (E_RNA)
where:
Base-Base interactions energy: -676.625
where: short stacking energy: -287.968
Base-Backbone interact. energy: -1.551
local terms energy: -320.086750
where:
bonds (distance) C4'-P energy: -65.039
bonds (distance) P-C4' energy: -65.192
flat angles C4'-P-C4' energy: -67.606
flat angles P-C4'-P energy: -39.025
tors. eta vs tors. theta energy: -83.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -898.102090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.102090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.102090 (E_RNA)
where:
Base-Base interactions energy: -564.165
where: short stacking energy: -268.172
Base-Backbone interact. energy: -0.240
local terms energy: -333.697722
where:
bonds (distance) C4'-P energy: -61.370
bonds (distance) P-C4' energy: -70.093
flat angles C4'-P-C4' energy: -72.449
flat angles P-C4'-P energy: -45.094
tors. eta vs tors. theta energy: -84.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -846.993979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.993979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.993979 (E_RNA)
where:
Base-Base interactions energy: -564.726
where: short stacking energy: -251.621
Base-Backbone interact. energy: -0.586
local terms energy: -281.682528
where:
bonds (distance) C4'-P energy: -54.100
bonds (distance) P-C4' energy: -63.576
flat angles C4'-P-C4' energy: -57.447
flat angles P-C4'-P energy: -43.195
tors. eta vs tors. theta energy: -63.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -680.836487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.836487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.836487 (E_RNA)
where:
Base-Base interactions energy: -434.898
where: short stacking energy: -190.047
Base-Backbone interact. energy: -0.482
local terms energy: -245.456584
where:
bonds (distance) C4'-P energy: -55.078
bonds (distance) P-C4' energy: -65.893
flat angles C4'-P-C4' energy: -58.266
flat angles P-C4'-P energy: -32.984
tors. eta vs tors. theta energy: -33.237
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: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -672.281289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.281289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.281289 (E_RNA)
where:
Base-Base interactions energy: -419.647
where: short stacking energy: -188.186
Base-Backbone interact. energy: -0.753
local terms energy: -251.881304
where:
bonds (distance) C4'-P energy: -50.070
bonds (distance) P-C4' energy: -57.181
flat angles C4'-P-C4' energy: -64.450
flat angles P-C4'-P energy: -35.303
tors. eta vs tors. theta energy: -44.877
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: 8, replica: 6
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -452.342904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.342904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.342904 (E_RNA)
where:
Base-Base interactions energy: -241.584
where: short stacking energy: -138.149
Base-Backbone interact. energy: 3.265
local terms energy: -214.023884
where:
bonds (distance) C4'-P energy: -66.114
bonds (distance) P-C4' energy: -63.196
flat angles C4'-P-C4' energy: -47.556
flat angles P-C4'-P energy: -33.056
tors. eta vs tors. theta energy: -4.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -385.579948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.579948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.579948 (E_RNA)
where:
Base-Base interactions energy: -181.404
where: short stacking energy: -119.448
Base-Backbone interact. energy: -0.068
local terms energy: -204.107628
where:
bonds (distance) C4'-P energy: -59.492
bonds (distance) P-C4' energy: -52.898
flat angles C4'-P-C4' energy: -54.019
flat angles P-C4'-P energy: -23.837
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -331.765735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.765735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.765735 (E_RNA)
where:
Base-Base interactions energy: -153.910
where: short stacking energy: -85.569
Base-Backbone interact. energy: -1.022
local terms energy: -176.833680
where:
bonds (distance) C4'-P energy: -42.862
bonds (distance) P-C4' energy: -48.659
flat angles C4'-P-C4' energy: -49.051
flat angles P-C4'-P energy: -31.806
tors. eta vs tors. theta energy: -4.457
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: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1061.644688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.644688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.644688 (E_RNA)
where:
Base-Base interactions energy: -720.300
where: short stacking energy: -323.614
Base-Backbone interact. energy: -2.324
local terms energy: -339.019977
where:
bonds (distance) C4'-P energy: -55.776
bonds (distance) P-C4' energy: -67.751
flat angles C4'-P-C4' energy: -72.355
flat angles P-C4'-P energy: -52.832
tors. eta vs tors. theta energy: -90.306
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: 2, replica: 7
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -999.098655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.098655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.098655 (E_RNA)
where:
Base-Base interactions energy: -673.724
where: short stacking energy: -303.123
Base-Backbone interact. energy: -0.908
local terms energy: -324.466359
where:
bonds (distance) C4'-P energy: -63.886
bonds (distance) P-C4' energy: -66.279
flat angles C4'-P-C4' energy: -58.690
flat angles P-C4'-P energy: -50.311
tors. eta vs tors. theta energy: -85.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1015.649760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.649760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.649760 (E_RNA)
where:
Base-Base interactions energy: -687.241
where: short stacking energy: -297.561
Base-Backbone interact. energy: -1.594
local terms energy: -326.814261
where:
bonds (distance) C4'-P energy: -62.577
bonds (distance) P-C4' energy: -70.379
flat angles C4'-P-C4' energy: -72.673
flat angles P-C4'-P energy: -46.247
tors. eta vs tors. theta energy: -74.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -887.682436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.682436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.682436 (E_RNA)
where:
Base-Base interactions energy: -590.500
where: short stacking energy: -254.155
Base-Backbone interact. energy: -2.886
local terms energy: -294.296643
where:
bonds (distance) C4'-P energy: -53.801
bonds (distance) P-C4' energy: -59.354
flat angles C4'-P-C4' energy: -66.531
flat angles P-C4'-P energy: -40.723
tors. eta vs tors. theta energy: -73.887
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: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -881.424709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.424709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.424709 (E_RNA)
where:
Base-Base interactions energy: -579.828
where: short stacking energy: -261.376
Base-Backbone interact. energy: 0.016
local terms energy: -301.613021
where:
bonds (distance) C4'-P energy: -66.743
bonds (distance) P-C4' energy: -56.359
flat angles C4'-P-C4' energy: -56.882
flat angles P-C4'-P energy: -42.071
tors. eta vs tors. theta energy: -79.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -708.213493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.213493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.213493 (E_RNA)
where:
Base-Base interactions energy: -456.969
where: short stacking energy: -196.141
Base-Backbone interact. energy: 1.839
local terms energy: -253.083240
where:
bonds (distance) C4'-P energy: -63.021
bonds (distance) P-C4' energy: -53.896
flat angles C4'-P-C4' energy: -56.419
flat angles P-C4'-P energy: -41.312
tors. eta vs tors. theta energy: -38.435
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: 1
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -668.298598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.298598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.298598 (E_RNA)
where:
Base-Base interactions energy: -438.467
where: short stacking energy: -185.267
Base-Backbone interact. energy: 2.413
local terms energy: -232.245044
where:
bonds (distance) C4'-P energy: -47.567
bonds (distance) P-C4' energy: -53.703
flat angles C4'-P-C4' energy: -48.980
flat angles P-C4'-P energy: -44.787
tors. eta vs tors. theta energy: -37.208
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: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -431.783837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.783837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.783837 (E_RNA)
where:
Base-Base interactions energy: -233.815
where: short stacking energy: -145.130
Base-Backbone interact. energy: -0.238
local terms energy: -197.731559
where:
bonds (distance) C4'-P energy: -48.248
bonds (distance) P-C4' energy: -48.049
flat angles C4'-P-C4' energy: -55.463
flat angles P-C4'-P energy: -30.381
tors. eta vs tors. theta energy: -15.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -393.984873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.984873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.984873 (E_RNA)
where:
Base-Base interactions energy: -205.399
where: short stacking energy: -111.128
Base-Backbone interact. energy: -0.129
local terms energy: -188.456580
where:
bonds (distance) C4'-P energy: -46.450
bonds (distance) P-C4' energy: -56.976
flat angles C4'-P-C4' energy: -54.450
flat angles P-C4'-P energy: -30.345
tors. eta vs tors. theta energy: -0.236
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: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -355.311453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.311453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.311453 (E_RNA)
where:
Base-Base interactions energy: -172.477
where: short stacking energy: -107.245
Base-Backbone interact. energy: 0.608
local terms energy: -183.442368
where:
bonds (distance) C4'-P energy: -59.608
bonds (distance) P-C4' energy: -50.356
flat angles C4'-P-C4' energy: -38.784
flat angles P-C4'-P energy: -27.389
tors. eta vs tors. theta energy: -7.306
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: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1075.709315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.709315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.709315 (E_RNA)
where:
Base-Base interactions energy: -711.589
where: short stacking energy: -322.455
Base-Backbone interact. energy: -1.677
local terms energy: -362.443728
where:
bonds (distance) C4'-P energy: -68.936
bonds (distance) P-C4' energy: -72.679
flat angles C4'-P-C4' energy: -71.455
flat angles P-C4'-P energy: -57.147
tors. eta vs tors. theta energy: -92.226
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: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -981.972077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.972077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.972077 (E_RNA)
where:
Base-Base interactions energy: -664.704
where: short stacking energy: -288.048
Base-Backbone interact. energy: -1.237
local terms energy: -316.030928
where:
bonds (distance) C4'-P energy: -60.246
bonds (distance) P-C4' energy: -63.735
flat angles C4'-P-C4' energy: -69.993
flat angles P-C4'-P energy: -44.987
tors. eta vs tors. theta energy: -77.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1002.221285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.221285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.221285 (E_RNA)
where:
Base-Base interactions energy: -682.183
where: short stacking energy: -280.479
Base-Backbone interact. energy: -2.902
local terms energy: -317.136382
where:
bonds (distance) C4'-P energy: -62.295
bonds (distance) P-C4' energy: -55.725
flat angles C4'-P-C4' energy: -74.845
flat angles P-C4'-P energy: -45.032
tors. eta vs tors. theta energy: -79.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -899.365982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.365982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.365982 (E_RNA)
where:
Base-Base interactions energy: -584.335
where: short stacking energy: -260.676
Base-Backbone interact. energy: -1.612
local terms energy: -313.418590
where:
bonds (distance) C4'-P energy: -63.855
bonds (distance) P-C4' energy: -60.655
flat angles C4'-P-C4' energy: -70.539
flat angles P-C4'-P energy: -48.667
tors. eta vs tors. theta energy: -69.703
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: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -879.976753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.976753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.976753 (E_RNA)
where:
Base-Base interactions energy: -577.276
where: short stacking energy: -256.519
Base-Backbone interact. energy: -0.895
local terms energy: -301.805794
where:
bonds (distance) C4'-P energy: -58.406
bonds (distance) P-C4' energy: -61.744
flat angles C4'-P-C4' energy: -59.458
flat angles P-C4'-P energy: -47.834
tors. eta vs tors. theta energy: -74.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -710.322268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.322268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.322268 (E_RNA)
where:
Base-Base interactions energy: -472.813
where: short stacking energy: -196.833
Base-Backbone interact. energy: -2.418
local terms energy: -235.091065
where:
bonds (distance) C4'-P energy: -63.100
bonds (distance) P-C4' energy: -57.955
flat angles C4'-P-C4' energy: -41.448
flat angles P-C4'-P energy: -38.570
tors. eta vs tors. theta energy: -34.017
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: 1
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -689.825769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.825769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.825769 (E_RNA)
where:
Base-Base interactions energy: -445.638
where: short stacking energy: -189.866
Base-Backbone interact. energy: -2.614
local terms energy: -241.573580
where:
bonds (distance) C4'-P energy: -43.823
bonds (distance) P-C4' energy: -66.580
flat angles C4'-P-C4' energy: -62.237
flat angles P-C4'-P energy: -35.511
tors. eta vs tors. theta energy: -33.422
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: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -413.930515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.930515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.930515 (E_RNA)
where:
Base-Base interactions energy: -223.458
where: short stacking energy: -115.124
Base-Backbone interact. energy: -0.344
local terms energy: -190.127897
where:
bonds (distance) C4'-P energy: -53.001
bonds (distance) P-C4' energy: -53.874
flat angles C4'-P-C4' energy: -35.364
flat angles P-C4'-P energy: -39.319
tors. eta vs tors. theta energy: -8.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -387.611868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.611868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.611868 (E_RNA)
where:
Base-Base interactions energy: -183.182
where: short stacking energy: -118.991
Base-Backbone interact. energy: -1.720
local terms energy: -202.710040
where:
bonds (distance) C4'-P energy: -63.760
bonds (distance) P-C4' energy: -56.300
flat angles C4'-P-C4' energy: -42.080
flat angles P-C4'-P energy: -28.289
tors. eta vs tors. theta energy: -12.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -336.431099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.431099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.431099 (E_RNA)
where:
Base-Base interactions energy: -151.976
where: short stacking energy: -102.015
Base-Backbone interact. energy: 0.831
local terms energy: -185.286242
where:
bonds (distance) C4'-P energy: -54.209
bonds (distance) P-C4' energy: -55.510
flat angles C4'-P-C4' energy: -45.865
flat angles P-C4'-P energy: -32.636
tors. eta vs tors. theta energy: 2.935
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: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1096.301481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.301481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.301481 (E_RNA)
where:
Base-Base interactions energy: -733.379
where: short stacking energy: -312.765
Base-Backbone interact. energy: -0.528
local terms energy: -362.394347
where:
bonds (distance) C4'-P energy: -70.826
bonds (distance) P-C4' energy: -63.421
flat angles C4'-P-C4' energy: -80.417
flat angles P-C4'-P energy: -49.164
tors. eta vs tors. theta energy: -98.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1000.678583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.678583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.678583 (E_RNA)
where:
Base-Base interactions energy: -655.077
where: short stacking energy: -286.789
Base-Backbone interact. energy: 0.130
local terms energy: -345.731775
where:
bonds (distance) C4'-P energy: -68.355
bonds (distance) P-C4' energy: -72.860
flat angles C4'-P-C4' energy: -76.127
flat angles P-C4'-P energy: -48.524
tors. eta vs tors. theta energy: -79.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -986.515905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.515905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.515905 (E_RNA)
where:
Base-Base interactions energy: -659.999
where: short stacking energy: -288.788
Base-Backbone interact. energy: 0.217
local terms energy: -326.733937
where:
bonds (distance) C4'-P energy: -56.963
bonds (distance) P-C4' energy: -69.267
flat angles C4'-P-C4' energy: -73.499
flat angles P-C4'-P energy: -46.225
tors. eta vs tors. theta energy: -80.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -924.254204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.254204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.254204 (E_RNA)
where:
Base-Base interactions energy: -610.202
where: short stacking energy: -285.876
Base-Backbone interact. energy: -0.678
local terms energy: -313.374303
where:
bonds (distance) C4'-P energy: -56.925
bonds (distance) P-C4' energy: -59.581
flat angles C4'-P-C4' energy: -64.224
flat angles P-C4'-P energy: -39.154
tors. eta vs tors. theta energy: -93.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -924.180185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.180185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.180185 (E_RNA)
where:
Base-Base interactions energy: -625.701
where: short stacking energy: -286.446
Base-Backbone interact. energy: -1.606
local terms energy: -296.873449
where:
bonds (distance) C4'-P energy: -60.807
bonds (distance) P-C4' energy: -57.137
flat angles C4'-P-C4' energy: -60.966
flat angles P-C4'-P energy: -37.947
tors. eta vs tors. theta energy: -80.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -712.848869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.848869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.848869 (E_RNA)
where:
Base-Base interactions energy: -457.688
where: short stacking energy: -209.082
Base-Backbone interact. energy: -2.610
local terms energy: -252.550936
where:
bonds (distance) C4'-P energy: -54.006
bonds (distance) P-C4' energy: -63.481
flat angles C4'-P-C4' energy: -63.182
flat angles P-C4'-P energy: -30.329
tors. eta vs tors. theta energy: -41.553
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: 7, replica: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -673.794151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.794151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.794151 (E_RNA)
where:
Base-Base interactions energy: -447.279
where: short stacking energy: -185.520
Base-Backbone interact. energy: -0.619
local terms energy: -225.896012
where:
bonds (distance) C4'-P energy: -48.678
bonds (distance) P-C4' energy: -51.445
flat angles C4'-P-C4' energy: -54.249
flat angles P-C4'-P energy: -38.499
tors. eta vs tors. theta energy: -33.025
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: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -455.425085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.425085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.425085 (E_RNA)
where:
Base-Base interactions energy: -235.947
where: short stacking energy: -133.766
Base-Backbone interact. energy: -0.303
local terms energy: -219.174898
where:
bonds (distance) C4'-P energy: -62.400
bonds (distance) P-C4' energy: -63.960
flat angles C4'-P-C4' energy: -45.559
flat angles P-C4'-P energy: -33.836
tors. eta vs tors. theta energy: -13.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -364.479574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.479574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.479574 (E_RNA)
where:
Base-Base interactions energy: -187.831
where: short stacking energy: -108.823
Base-Backbone interact. energy: -0.796
local terms energy: -175.852446
where:
bonds (distance) C4'-P energy: -49.090
bonds (distance) P-C4' energy: -48.616
flat angles C4'-P-C4' energy: -47.837
flat angles P-C4'-P energy: -31.086
tors. eta vs tors. theta energy: 0.778
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: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -332.001003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.001003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.001003 (E_RNA)
where:
Base-Base interactions energy: -154.001
where: short stacking energy: -94.777
Base-Backbone interact. energy: -2.058
local terms energy: -175.942659
where:
bonds (distance) C4'-P energy: -47.893
bonds (distance) P-C4' energy: -51.423
flat angles C4'-P-C4' energy: -53.828
flat angles P-C4'-P energy: -25.178
tors. eta vs tors. theta energy: 2.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1075.249537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.249537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.249537 (E_RNA)
where:
Base-Base interactions energy: -720.888
where: short stacking energy: -325.061
Base-Backbone interact. energy: -4.532
local terms energy: -349.829467
where:
bonds (distance) C4'-P energy: -65.330
bonds (distance) P-C4' energy: -70.765
flat angles C4'-P-C4' energy: -71.532
flat angles P-C4'-P energy: -48.530
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: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -987.710422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.710422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.710422 (E_RNA)
where:
Base-Base interactions energy: -673.860
where: short stacking energy: -282.859
Base-Backbone interact. energy: 0.462
local terms energy: -314.312567
where:
bonds (distance) C4'-P energy: -57.059
bonds (distance) P-C4' energy: -64.213
flat angles C4'-P-C4' energy: -69.708
flat angles P-C4'-P energy: -38.398
tors. eta vs tors. theta energy: -84.935
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: 8
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -981.569946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.569946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.569946 (E_RNA)
where:
Base-Base interactions energy: -660.013
where: short stacking energy: -309.129
Base-Backbone interact. energy: 1.483
local terms energy: -323.040355
where:
bonds (distance) C4'-P energy: -53.721
bonds (distance) P-C4' energy: -65.779
flat angles C4'-P-C4' energy: -71.583
flat angles P-C4'-P energy: -50.996
tors. eta vs tors. theta energy: -80.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -926.756290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.756290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.756290 (E_RNA)
where:
Base-Base interactions energy: -617.389
where: short stacking energy: -289.999
Base-Backbone interact. energy: -0.802
local terms energy: -308.565410
where:
bonds (distance) C4'-P energy: -51.610
bonds (distance) P-C4' energy: -66.371
flat angles C4'-P-C4' energy: -65.279
flat angles P-C4'-P energy: -40.548
tors. eta vs tors. theta energy: -84.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -915.376258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.376258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.376258 (E_RNA)
where:
Base-Base interactions energy: -600.299
where: short stacking energy: -270.534
Base-Backbone interact. energy: -0.131
local terms energy: -314.946358
where:
bonds (distance) C4'-P energy: -61.740
bonds (distance) P-C4' energy: -55.187
flat angles C4'-P-C4' energy: -65.914
flat angles P-C4'-P energy: -48.424
tors. eta vs tors. theta energy: -83.682
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: 9
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -721.482270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.482270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.482270 (E_RNA)
where:
Base-Base interactions energy: -455.805
where: short stacking energy: -210.321
Base-Backbone interact. energy: 1.279
local terms energy: -266.955486
where:
bonds (distance) C4'-P energy: -63.160
bonds (distance) P-C4' energy: -68.100
flat angles C4'-P-C4' energy: -46.101
flat angles P-C4'-P energy: -33.018
tors. eta vs tors. theta energy: -56.577
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: 7, replica: 1
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -707.202417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.202417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.202417 (E_RNA)
where:
Base-Base interactions energy: -457.850
where: short stacking energy: -199.500
Base-Backbone interact. energy: -1.955
local terms energy: -247.397615
where:
bonds (distance) C4'-P energy: -53.472
bonds (distance) P-C4' energy: -65.119
flat angles C4'-P-C4' energy: -57.384
flat angles P-C4'-P energy: -37.238
tors. eta vs tors. theta energy: -34.185
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: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -460.101948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.101948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.101948 (E_RNA)
where:
Base-Base interactions energy: -247.688
where: short stacking energy: -130.419
Base-Backbone interact. energy: -1.476
local terms energy: -210.937206
where:
bonds (distance) C4'-P energy: -53.412
bonds (distance) P-C4' energy: -61.618
flat angles C4'-P-C4' energy: -50.595
flat angles P-C4'-P energy: -31.541
tors. eta vs tors. theta energy: -13.771
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: 9, replica: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -348.183666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.183666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.183666 (E_RNA)
where:
Base-Base interactions energy: -169.761
where: short stacking energy: -119.640
Base-Backbone interact. energy: 3.446
local terms energy: -182.999664
where:
bonds (distance) C4'-P energy: -46.772
bonds (distance) P-C4' energy: -58.466
flat angles C4'-P-C4' energy: -41.706
flat angles P-C4'-P energy: -33.498
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.131 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -328.974129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.974129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.974129 (E_RNA)
where:
Base-Base interactions energy: -152.162
where: short stacking energy: -74.801
Base-Backbone interact. energy: 0.032
local terms energy: -176.844578
where:
bonds (distance) C4'-P energy: -56.105
bonds (distance) P-C4' energy: -59.712
flat angles C4'-P-C4' energy: -52.161
flat angles P-C4'-P energy: -31.965
tors. eta vs tors. theta energy: 23.098
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: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1059.258078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.258078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.258078 (E_RNA)
where:
Base-Base interactions energy: -718.522
where: short stacking energy: -307.235
Base-Backbone interact. energy: -1.339
local terms energy: -339.396621
where:
bonds (distance) C4'-P energy: -63.433
bonds (distance) P-C4' energy: -63.960
flat angles C4'-P-C4' energy: -74.475
flat angles P-C4'-P energy: -47.831
tors. eta vs tors. theta energy: -89.696
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: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -961.898975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.898975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.898975 (E_RNA)
where:
Base-Base interactions energy: -644.966
where: short stacking energy: -274.044
Base-Backbone interact. energy: -3.304
local terms energy: -313.628802
where:
bonds (distance) C4'-P energy: -63.400
bonds (distance) P-C4' energy: -59.538
flat angles C4'-P-C4' energy: -73.629
flat angles P-C4'-P energy: -46.258
tors. eta vs tors. theta energy: -70.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -979.302809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.302809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.302809 (E_RNA)
where:
Base-Base interactions energy: -668.741
where: short stacking energy: -287.406
Base-Backbone interact. energy: -1.612
local terms energy: -308.949952
where:
bonds (distance) C4'-P energy: -69.528
bonds (distance) P-C4' energy: -60.490
flat angles C4'-P-C4' energy: -65.090
flat angles P-C4'-P energy: -44.884
tors. eta vs tors. theta energy: -68.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -925.723711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.723711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.723711 (E_RNA)
where:
Base-Base interactions energy: -625.316
where: short stacking energy: -281.975
Base-Backbone interact. energy: -0.429
local terms energy: -299.978952
where:
bonds (distance) C4'-P energy: -56.408
bonds (distance) P-C4' energy: -61.809
flat angles C4'-P-C4' energy: -59.433
flat angles P-C4'-P energy: -42.220
tors. eta vs tors. theta energy: -80.109
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: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -888.984716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.984716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.984716 (E_RNA)
where:
Base-Base interactions energy: -593.323
where: short stacking energy: -273.866
Base-Backbone interact. energy: -1.356
local terms energy: -294.344417
where:
bonds (distance) C4'-P energy: -55.198
bonds (distance) P-C4' energy: -57.401
flat angles C4'-P-C4' energy: -53.958
flat angles P-C4'-P energy: -47.858
tors. eta vs tors. theta energy: -79.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.039 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -708.788414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.788414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.788414 (E_RNA)
where:
Base-Base interactions energy: -450.743
where: short stacking energy: -203.126
Base-Backbone interact. energy: 3.278
local terms energy: -261.971468
where:
bonds (distance) C4'-P energy: -62.728
bonds (distance) P-C4' energy: -50.047
flat angles C4'-P-C4' energy: -62.282
flat angles P-C4'-P energy: -45.729
tors. eta vs tors. theta energy: -41.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.648 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -719.468617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.468617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.468617 (E_RNA)
where:
Base-Base interactions energy: -469.247
where: short stacking energy: -205.387
Base-Backbone interact. energy: -1.377
local terms energy: -248.844563
where:
bonds (distance) C4'-P energy: -54.556
bonds (distance) P-C4' energy: -67.851
flat angles C4'-P-C4' energy: -49.638
flat angles P-C4'-P energy: -32.590
tors. eta vs tors. theta energy: -44.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -483.306746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.306746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.306746 (E_RNA)
where:
Base-Base interactions energy: -263.121
where: short stacking energy: -132.748
Base-Backbone interact. energy: -1.831
local terms energy: -218.354995
where:
bonds (distance) C4'-P energy: -58.696
bonds (distance) P-C4' energy: -62.298
flat angles C4'-P-C4' energy: -47.582
flat angles P-C4'-P energy: -36.581
tors. eta vs tors. theta energy: -13.197
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: 9, replica: 5
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -351.565551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.565551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.565551 (E_RNA)
where:
Base-Base interactions energy: -140.780
where: short stacking energy: -94.383
Base-Backbone interact. energy: -1.088
local terms energy: -209.696976
where:
bonds (distance) C4'-P energy: -60.608
bonds (distance) P-C4' energy: -59.099
flat angles C4'-P-C4' energy: -56.089
flat angles P-C4'-P energy: -33.688
tors. eta vs tors. theta energy: -0.213
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: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -350.556949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.556949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.556949 (E_RNA)
where:
Base-Base interactions energy: -173.670
where: short stacking energy: -105.557
Base-Backbone interact. energy: 0.389
local terms energy: -177.275177
where:
bonds (distance) C4'-P energy: -57.415
bonds (distance) P-C4' energy: -65.571
flat angles C4'-P-C4' energy: -41.349
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: 5.162
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: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1054.648894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.648894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.648894 (E_RNA)
where:
Base-Base interactions energy: -716.894
where: short stacking energy: -292.301
Base-Backbone interact. energy: -0.958
local terms energy: -336.797215
where:
bonds (distance) C4'-P energy: -63.832
bonds (distance) P-C4' energy: -73.714
flat angles C4'-P-C4' energy: -64.306
flat angles P-C4'-P energy: -48.596
tors. eta vs tors. theta energy: -86.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -973.856347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.856347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.856347 (E_RNA)
where:
Base-Base interactions energy: -639.906
where: short stacking energy: -293.590
Base-Backbone interact. energy: -2.380
local terms energy: -331.571232
where:
bonds (distance) C4'-P energy: -62.206
bonds (distance) P-C4' energy: -65.298
flat angles C4'-P-C4' energy: -67.592
flat angles P-C4'-P energy: -42.002
tors. eta vs tors. theta energy: -94.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1007.891820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.891820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.891820 (E_RNA)
where:
Base-Base interactions energy: -686.529
where: short stacking energy: -292.153
Base-Backbone interact. energy: -1.755
local terms energy: -319.607229
where:
bonds (distance) C4'-P energy: -56.943
bonds (distance) P-C4' energy: -68.411
flat angles C4'-P-C4' energy: -70.447
flat angles P-C4'-P energy: -47.593
tors. eta vs tors. theta energy: -76.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -890.145325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.145325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.145325 (E_RNA)
where:
Base-Base interactions energy: -586.288
where: short stacking energy: -269.382
Base-Backbone interact. energy: -1.713
local terms energy: -302.144167
where:
bonds (distance) C4'-P energy: -58.720
bonds (distance) P-C4' energy: -63.400
flat angles C4'-P-C4' energy: -59.637
flat angles P-C4'-P energy: -39.483
tors. eta vs tors. theta energy: -80.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -926.267836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.267836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.267836 (E_RNA)
where:
Base-Base interactions energy: -613.619
where: short stacking energy: -269.406
Base-Backbone interact. energy: -0.651
local terms energy: -311.997978
where:
bonds (distance) C4'-P energy: -60.419
bonds (distance) P-C4' energy: -59.584
flat angles C4'-P-C4' energy: -66.600
flat angles P-C4'-P energy: -40.204
tors. eta vs tors. theta energy: -85.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -721.953963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.953963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.953963 (E_RNA)
where:
Base-Base interactions energy: -447.614
where: short stacking energy: -198.016
Base-Backbone interact. energy: -1.709
local terms energy: -272.631429
where:
bonds (distance) C4'-P energy: -56.365
bonds (distance) P-C4' energy: -63.922
flat angles C4'-P-C4' energy: -67.122
flat angles P-C4'-P energy: -46.181
tors. eta vs tors. theta energy: -39.041
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: 7, replica: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -690.897904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.897904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.897904 (E_RNA)
where:
Base-Base interactions energy: -456.444
where: short stacking energy: -189.952
Base-Backbone interact. energy: -2.734
local terms energy: -231.720010
where:
bonds (distance) C4'-P energy: -52.744
bonds (distance) P-C4' energy: -51.201
flat angles C4'-P-C4' energy: -54.581
flat angles P-C4'-P energy: -30.198
tors. eta vs tors. theta energy: -42.996
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: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -465.841701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.841701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.841701 (E_RNA)
where:
Base-Base interactions energy: -250.624
where: short stacking energy: -137.809
Base-Backbone interact. energy: -1.474
local terms energy: -213.744356
where:
bonds (distance) C4'-P energy: -62.937
bonds (distance) P-C4' energy: -47.438
flat angles C4'-P-C4' energy: -56.277
flat angles P-C4'-P energy: -28.271
tors. eta vs tors. theta energy: -18.822
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: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -390.605941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.605941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.605941 (E_RNA)
where:
Base-Base interactions energy: -196.544
where: short stacking energy: -125.994
Base-Backbone interact. energy: -0.406
local terms energy: -193.656025
where:
bonds (distance) C4'-P energy: -58.630
bonds (distance) P-C4' energy: -41.286
flat angles C4'-P-C4' energy: -55.503
flat angles P-C4'-P energy: -29.467
tors. eta vs tors. theta energy: -8.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -313.460227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.460227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.460227 (E_RNA)
where:
Base-Base interactions energy: -149.553
where: short stacking energy: -86.848
Base-Backbone interact. energy: -0.753
local terms energy: -165.281830
where:
bonds (distance) C4'-P energy: -45.747
bonds (distance) P-C4' energy: -54.845
flat angles C4'-P-C4' energy: -40.971
flat angles P-C4'-P energy: -26.556
tors. eta vs tors. theta energy: 2.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.128 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1071.905814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.905814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.905814 (E_RNA)
where:
Base-Base interactions energy: -740.760
where: short stacking energy: -319.481
Base-Backbone interact. energy: -1.132
local terms energy: -330.014025
where:
bonds (distance) C4'-P energy: -58.703
bonds (distance) P-C4' energy: -61.989
flat angles C4'-P-C4' energy: -66.607
flat angles P-C4'-P energy: -46.379
tors. eta vs tors. theta energy: -96.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1050.127610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.127610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.127610 (E_RNA)
where:
Base-Base interactions energy: -723.192
where: short stacking energy: -307.190
Base-Backbone interact. energy: -3.260
local terms energy: -323.675283
where:
bonds (distance) C4'-P energy: -68.538
bonds (distance) P-C4' energy: -61.883
flat angles C4'-P-C4' energy: -64.915
flat angles P-C4'-P energy: -43.485
tors. eta vs tors. theta energy: -84.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -933.512831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.512831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.512831 (E_RNA)
where:
Base-Base interactions energy: -638.781
where: short stacking energy: -278.599
Base-Backbone interact. energy: -1.700
local terms energy: -293.032001
where:
bonds (distance) C4'-P energy: -54.929
bonds (distance) P-C4' energy: -49.707
flat angles C4'-P-C4' energy: -67.321
flat angles P-C4'-P energy: -42.560
tors. eta vs tors. theta energy: -78.515
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: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -954.062343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.062343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.062343 (E_RNA)
where:
Base-Base interactions energy: -627.488
where: short stacking energy: -295.690
Base-Backbone interact. energy: -1.814
local terms energy: -324.760171
where:
bonds (distance) C4'-P energy: -54.639
bonds (distance) P-C4' energy: -66.290
flat angles C4'-P-C4' energy: -68.591
flat angles P-C4'-P energy: -46.383
tors. eta vs tors. theta energy: -88.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -860.698771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.698771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.698771 (E_RNA)
where:
Base-Base interactions energy: -566.597
where: short stacking energy: -289.915
Base-Backbone interact. energy: 0.027
local terms energy: -294.128705
where:
bonds (distance) C4'-P energy: -58.512
bonds (distance) P-C4' energy: -54.163
flat angles C4'-P-C4' energy: -61.536
flat angles P-C4'-P energy: -45.489
tors. eta vs tors. theta energy: -74.429
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: 1
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -763.133566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.133566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.133566 (E_RNA)
where:
Base-Base interactions energy: -501.358
where: short stacking energy: -219.148
Base-Backbone interact. energy: 0.298
local terms energy: -262.073382
where:
bonds (distance) C4'-P energy: -55.226
bonds (distance) P-C4' energy: -51.224
flat angles C4'-P-C4' energy: -58.472
flat angles P-C4'-P energy: -39.169
tors. eta vs tors. theta energy: -57.983
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: 7, replica: 9
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -675.858344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.858344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.858344 (E_RNA)
where:
Base-Base interactions energy: -447.958
where: short stacking energy: -187.631
Base-Backbone interact. energy: 3.138
local terms energy: -231.038384
where:
bonds (distance) C4'-P energy: -52.988
bonds (distance) P-C4' energy: -60.370
flat angles C4'-P-C4' energy: -62.506
flat angles P-C4'-P energy: -24.669
tors. eta vs tors. theta energy: -30.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -463.914156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.914156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.914156 (E_RNA)
where:
Base-Base interactions energy: -256.937
where: short stacking energy: -132.314
Base-Backbone interact. energy: -1.392
local terms energy: -205.584631
where:
bonds (distance) C4'-P energy: -54.686
bonds (distance) P-C4' energy: -45.564
flat angles C4'-P-C4' energy: -52.236
flat angles P-C4'-P energy: -37.982
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -366.059254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.059254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.059254 (E_RNA)
where:
Base-Base interactions energy: -181.133
where: short stacking energy: -123.974
Base-Backbone interact. energy: 1.825
local terms energy: -186.751455
where:
bonds (distance) C4'-P energy: -49.494
bonds (distance) P-C4' energy: -48.131
flat angles C4'-P-C4' energy: -54.193
flat angles P-C4'-P energy: -31.970
tors. eta vs tors. theta energy: -2.963
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: 10, replica: 5
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -351.799708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.799708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.799708 (E_RNA)
where:
Base-Base interactions energy: -177.641
where: short stacking energy: -89.707
Base-Backbone interact. energy: -0.518
local terms energy: -173.640723
where:
bonds (distance) C4'-P energy: -61.458
bonds (distance) P-C4' energy: -51.019
flat angles C4'-P-C4' energy: -42.698
flat angles P-C4'-P energy: -19.826
tors. eta vs tors. theta energy: 1.360
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: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1067.855225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.855225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.855225 (E_RNA)
where:
Base-Base interactions energy: -735.542
where: short stacking energy: -324.685
Base-Backbone interact. energy: -2.471
local terms energy: -329.842114
where:
bonds (distance) C4'-P energy: -62.825
bonds (distance) P-C4' energy: -63.885
flat angles C4'-P-C4' energy: -71.714
flat angles P-C4'-P energy: -39.584
tors. eta vs tors. theta energy: -91.834
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: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1031.012343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.012343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.012343 (E_RNA)
where:
Base-Base interactions energy: -703.791
where: short stacking energy: -315.382
Base-Backbone interact. energy: -1.236
local terms energy: -325.985240
where:
bonds (distance) C4'-P energy: -68.969
bonds (distance) P-C4' energy: -66.842
flat angles C4'-P-C4' energy: -65.229
flat angles P-C4'-P energy: -37.100
tors. eta vs tors. theta energy: -87.846
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: 10
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -986.146679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.146679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.146679 (E_RNA)
where:
Base-Base interactions energy: -671.237
where: short stacking energy: -299.735
Base-Backbone interact. energy: -0.060
local terms energy: -314.849625
where:
bonds (distance) C4'-P energy: -57.975
bonds (distance) P-C4' energy: -54.650
flat angles C4'-P-C4' energy: -70.820
flat angles P-C4'-P energy: -41.168
tors. eta vs tors. theta energy: -90.236
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: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -907.449369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.449369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.449369 (E_RNA)
where:
Base-Base interactions energy: -615.528
where: short stacking energy: -262.314
Base-Backbone interact. energy: 1.340
local terms energy: -293.261552
where:
bonds (distance) C4'-P energy: -57.963
bonds (distance) P-C4' energy: -62.314
flat angles C4'-P-C4' energy: -65.481
flat angles P-C4'-P energy: -47.380
tors. eta vs tors. theta energy: -60.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -869.114748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.114748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.114748 (E_RNA)
where:
Base-Base interactions energy: -565.053
where: short stacking energy: -274.047
Base-Backbone interact. energy: -1.504
local terms energy: -302.558109
where:
bonds (distance) C4'-P energy: -59.921
bonds (distance) P-C4' energy: -60.698
flat angles C4'-P-C4' energy: -64.792
flat angles P-C4'-P energy: -35.057
tors. eta vs tors. theta energy: -82.091
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: 1
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -761.620745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.620745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.620745 (E_RNA)
where:
Base-Base interactions energy: -507.956
where: short stacking energy: -226.702
Base-Backbone interact. energy: -1.195
local terms energy: -252.469036
where:
bonds (distance) C4'-P energy: -53.652
bonds (distance) P-C4' energy: -61.718
flat angles C4'-P-C4' energy: -59.466
flat angles P-C4'-P energy: -29.524
tors. eta vs tors. theta energy: -48.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -617.798562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.798562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.798562 (E_RNA)
where:
Base-Base interactions energy: -383.978
where: short stacking energy: -171.533
Base-Backbone interact. energy: -0.663
local terms energy: -233.157909
where:
bonds (distance) C4'-P energy: -55.843
bonds (distance) P-C4' energy: -54.243
flat angles C4'-P-C4' energy: -56.697
flat angles P-C4'-P energy: -42.895
tors. eta vs tors. theta energy: -23.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -477.435732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.435732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.435732 (E_RNA)
where:
Base-Base interactions energy: -263.699
where: short stacking energy: -145.474
Base-Backbone interact. energy: 0.658
local terms energy: -214.394742
where:
bonds (distance) C4'-P energy: -45.029
bonds (distance) P-C4' energy: -56.770
flat angles C4'-P-C4' energy: -49.802
flat angles P-C4'-P energy: -46.651
tors. eta vs tors. theta energy: -16.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -365.797357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.797357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.797357 (E_RNA)
where:
Base-Base interactions energy: -172.927
where: short stacking energy: -110.685
Base-Backbone interact. energy: 0.364
local terms energy: -193.234575
where:
bonds (distance) C4'-P energy: -54.529
bonds (distance) P-C4' energy: -63.309
flat angles C4'-P-C4' energy: -46.773
flat angles P-C4'-P energy: -24.436
tors. eta vs tors. theta energy: -4.187
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: 10, replica: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -376.214100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.214100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.214100 (E_RNA)
where:
Base-Base interactions energy: -209.182
where: short stacking energy: -110.505
Base-Backbone interact. energy: 0.505
local terms energy: -167.537500
where:
bonds (distance) C4'-P energy: -59.162
bonds (distance) P-C4' energy: -38.254
flat angles C4'-P-C4' energy: -53.291
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: 0.026
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: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1046.077192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.077192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.077192 (E_RNA)
where:
Base-Base interactions energy: -709.726
where: short stacking energy: -310.986
Base-Backbone interact. energy: -2.411
local terms energy: -333.939927
where:
bonds (distance) C4'-P energy: -62.704
bonds (distance) P-C4' energy: -61.543
flat angles C4'-P-C4' energy: -68.084
flat angles P-C4'-P energy: -50.725
tors. eta vs tors. theta energy: -90.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1008.100914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.100914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.100914 (E_RNA)
where:
Base-Base interactions energy: -680.471
where: short stacking energy: -333.087
Base-Backbone interact. energy: 1.042
local terms energy: -328.671869
where:
bonds (distance) C4'-P energy: -63.828
bonds (distance) P-C4' energy: -67.325
flat angles C4'-P-C4' energy: -69.101
flat angles P-C4'-P energy: -42.698
tors. eta vs tors. theta energy: -85.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -975.981116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.981116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.981116 (E_RNA)
where:
Base-Base interactions energy: -664.937
where: short stacking energy: -281.376
Base-Backbone interact. energy: -0.536
local terms energy: -310.508178
where:
bonds (distance) C4'-P energy: -50.708
bonds (distance) P-C4' energy: -64.389
flat angles C4'-P-C4' energy: -71.842
flat angles P-C4'-P energy: -44.947
tors. eta vs tors. theta energy: -78.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -895.353107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.353107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.353107 (E_RNA)
where:
Base-Base interactions energy: -597.496
where: short stacking energy: -277.609
Base-Backbone interact. energy: 0.599
local terms energy: -298.455938
where:
bonds (distance) C4'-P energy: -59.572
bonds (distance) P-C4' energy: -61.852
flat angles C4'-P-C4' energy: -70.207
flat angles P-C4'-P energy: -35.087
tors. eta vs tors. theta energy: -71.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -845.626577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.626577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.626577 (E_RNA)
where:
Base-Base interactions energy: -540.256
where: short stacking energy: -245.955
Base-Backbone interact. energy: -3.007
local terms energy: -302.363009
where:
bonds (distance) C4'-P energy: -63.716
bonds (distance) P-C4' energy: -61.861
flat angles C4'-P-C4' energy: -67.682
flat angles P-C4'-P energy: -41.154
tors. eta vs tors. theta energy: -67.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -659.896966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.896966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.896966 (E_RNA)
where:
Base-Base interactions energy: -423.487
where: short stacking energy: -167.633
Base-Backbone interact. energy: -0.022
local terms energy: -236.387608
where:
bonds (distance) C4'-P energy: -53.572
bonds (distance) P-C4' energy: -63.139
flat angles C4'-P-C4' energy: -64.819
flat angles P-C4'-P energy: -42.240
tors. eta vs tors. theta energy: -12.617
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: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -720.110873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.110873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.110873 (E_RNA)
where:
Base-Base interactions energy: -467.254
where: short stacking energy: -205.926
Base-Backbone interact. energy: -1.684
local terms energy: -251.172931
where:
bonds (distance) C4'-P energy: -52.173
bonds (distance) P-C4' energy: -43.650
flat angles C4'-P-C4' energy: -65.165
flat angles P-C4'-P energy: -40.124
tors. eta vs tors. theta energy: -50.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -451.652035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.652035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.652035 (E_RNA)
where:
Base-Base interactions energy: -256.617
where: short stacking energy: -145.184
Base-Backbone interact. energy: -2.016
local terms energy: -193.019590
where:
bonds (distance) C4'-P energy: -40.812
bonds (distance) P-C4' energy: -56.582
flat angles C4'-P-C4' energy: -43.785
flat angles P-C4'-P energy: -35.191
tors. eta vs tors. theta energy: -16.650
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: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -416.016501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.016501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.016501 (E_RNA)
where:
Base-Base interactions energy: -216.456
where: short stacking energy: -104.501
Base-Backbone interact. energy: -1.076
local terms energy: -198.577554
where:
bonds (distance) C4'-P energy: -52.115
bonds (distance) P-C4' energy: -59.218
flat angles C4'-P-C4' energy: -48.122
flat angles P-C4'-P energy: -33.231
tors. eta vs tors. theta energy: -5.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.093 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -343.563485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.563485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.563485 (E_RNA)
where:
Base-Base interactions energy: -163.238
where: short stacking energy: -85.588
Base-Backbone interact. energy: -1.351
local terms energy: -179.121715
where:
bonds (distance) C4'-P energy: -47.810
bonds (distance) P-C4' energy: -59.426
flat angles C4'-P-C4' energy: -51.954
flat angles P-C4'-P energy: -29.243
tors. eta vs tors. theta energy: 9.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.147 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1048.633881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.633881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.633881 (E_RNA)
where:
Base-Base interactions energy: -712.322
where: short stacking energy: -312.529
Base-Backbone interact. energy: -2.036
local terms energy: -334.276281
where:
bonds (distance) C4'-P energy: -67.524
bonds (distance) P-C4' energy: -68.144
flat angles C4'-P-C4' energy: -63.961
flat angles P-C4'-P energy: -47.858
tors. eta vs tors. theta energy: -86.789
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: 10
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -996.438793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.438793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.438793 (E_RNA)
where:
Base-Base interactions energy: -665.646
where: short stacking energy: -303.844
Base-Backbone interact. energy: -0.143
local terms energy: -330.649994
where:
bonds (distance) C4'-P energy: -54.674
bonds (distance) P-C4' energy: -57.423
flat angles C4'-P-C4' energy: -71.309
flat angles P-C4'-P energy: -56.135
tors. eta vs tors. theta energy: -91.109
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: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -974.931986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.931986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.931986 (E_RNA)
where:
Base-Base interactions energy: -656.966
where: short stacking energy: -289.081
Base-Backbone interact. energy: -1.658
local terms energy: -316.413653
where:
bonds (distance) C4'-P energy: -53.395
bonds (distance) P-C4' energy: -64.397
flat angles C4'-P-C4' energy: -70.374
flat angles P-C4'-P energy: -48.471
tors. eta vs tors. theta energy: -79.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.105 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -880.087265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.087265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.087265 (E_RNA)
where:
Base-Base interactions energy: -612.758
where: short stacking energy: -246.393
Base-Backbone interact. energy: -0.491
local terms energy: -266.838630
where:
bonds (distance) C4'-P energy: -56.525
bonds (distance) P-C4' energy: -56.058
flat angles C4'-P-C4' energy: -61.008
flat angles P-C4'-P energy: -40.641
tors. eta vs tors. theta energy: -52.606
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: 5, replica: 2
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -782.962802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.962802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.962802 (E_RNA)
where:
Base-Base interactions energy: -496.047
where: short stacking energy: -217.825
Base-Backbone interact. energy: -1.058
local terms energy: -285.858349
where:
bonds (distance) C4'-P energy: -53.895
bonds (distance) P-C4' energy: -59.229
flat angles C4'-P-C4' energy: -66.775
flat angles P-C4'-P energy: -44.851
tors. eta vs tors. theta energy: -61.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -687.643800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.643800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.643800 (E_RNA)
where:
Base-Base interactions energy: -434.808
where: short stacking energy: -206.335
Base-Backbone interact. energy: 0.217
local terms energy: -253.052786
where:
bonds (distance) C4'-P energy: -53.062
bonds (distance) P-C4' energy: -57.388
flat angles C4'-P-C4' energy: -52.113
flat angles P-C4'-P energy: -35.471
tors. eta vs tors. theta energy: -55.019
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: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -661.074844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.074844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.074844 (E_RNA)
where:
Base-Base interactions energy: -422.245
where: short stacking energy: -173.096
Base-Backbone interact. energy: 0.671
local terms energy: -239.500995
where:
bonds (distance) C4'-P energy: -68.991
bonds (distance) P-C4' energy: -57.421
flat angles C4'-P-C4' energy: -63.362
flat angles P-C4'-P energy: -23.591
tors. eta vs tors. theta energy: -26.136
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: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -453.897442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.897442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.897442 (E_RNA)
where:
Base-Base interactions energy: -245.305
where: short stacking energy: -126.935
Base-Backbone interact. energy: -1.255
local terms energy: -207.337668
where:
bonds (distance) C4'-P energy: -53.089
bonds (distance) P-C4' energy: -58.569
flat angles C4'-P-C4' energy: -60.711
flat angles P-C4'-P energy: -24.317
tors. eta vs tors. theta energy: -10.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -356.300685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.300685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.300685 (E_RNA)
where:
Base-Base interactions energy: -173.587
where: short stacking energy: -107.470
Base-Backbone interact. energy: 0.507
local terms energy: -183.220382
where:
bonds (distance) C4'-P energy: -57.229
bonds (distance) P-C4' energy: -39.500
flat angles C4'-P-C4' energy: -48.202
flat angles P-C4'-P energy: -31.588
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -262.337127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.337127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.337127 (E_RNA)
where:
Base-Base interactions energy: -75.283
where: short stacking energy: -70.503
Base-Backbone interact. energy: -0.683
local terms energy: -186.371771
where:
bonds (distance) C4'-P energy: -62.587
bonds (distance) P-C4' energy: -47.559
flat angles C4'-P-C4' energy: -49.375
flat angles P-C4'-P energy: -22.594
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: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1044.988743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.988743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.988743 (E_RNA)
where:
Base-Base interactions energy: -702.739
where: short stacking energy: -307.869
Base-Backbone interact. energy: -0.767
local terms energy: -341.483305
where:
bonds (distance) C4'-P energy: -64.447
bonds (distance) P-C4' energy: -70.120
flat angles C4'-P-C4' energy: -69.679
flat angles P-C4'-P energy: -52.901
tors. eta vs tors. theta energy: -84.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1009.797328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.797328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.797328 (E_RNA)
where:
Base-Base interactions energy: -670.051
where: short stacking energy: -321.089
Base-Backbone interact. energy: -0.373
local terms energy: -339.373912
where:
bonds (distance) C4'-P energy: -65.019
bonds (distance) P-C4' energy: -69.270
flat angles C4'-P-C4' energy: -69.736
flat angles P-C4'-P energy: -47.165
tors. eta vs tors. theta energy: -88.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1000.454877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.454877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.454877 (E_RNA)
where:
Base-Base interactions energy: -684.109
where: short stacking energy: -289.959
Base-Backbone interact. energy: -1.942
local terms energy: -314.403984
where:
bonds (distance) C4'-P energy: -49.263
bonds (distance) P-C4' energy: -64.929
flat angles C4'-P-C4' energy: -69.094
flat angles P-C4'-P energy: -55.226
tors. eta vs tors. theta energy: -75.892
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: 4, replica: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -874.422715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.422715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.422715 (E_RNA)
where:
Base-Base interactions energy: -570.384
where: short stacking energy: -292.031
Base-Backbone interact. energy: -0.443
local terms energy: -303.595677
where:
bonds (distance) C4'-P energy: -47.478
bonds (distance) P-C4' energy: -62.364
flat angles C4'-P-C4' energy: -66.255
flat angles P-C4'-P energy: -48.609
tors. eta vs tors. theta energy: -78.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -875.930980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.930980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.930980 (E_RNA)
where:
Base-Base interactions energy: -573.697
where: short stacking energy: -243.178
Base-Backbone interact. energy: -2.099
local terms energy: -300.135251
where:
bonds (distance) C4'-P energy: -62.291
bonds (distance) P-C4' energy: -60.341
flat angles C4'-P-C4' energy: -71.736
flat angles P-C4'-P energy: -45.492
tors. eta vs tors. theta energy: -60.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -648.409351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.409351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.409351 (E_RNA)
where:
Base-Base interactions energy: -398.549
where: short stacking energy: -182.735
Base-Backbone interact. energy: 0.469
local terms energy: -250.329171
where:
bonds (distance) C4'-P energy: -51.604
bonds (distance) P-C4' energy: -60.574
flat angles C4'-P-C4' energy: -62.758
flat angles P-C4'-P energy: -38.032
tors. eta vs tors. theta energy: -37.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -644.448478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.448478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.448478 (E_RNA)
where:
Base-Base interactions energy: -400.925
where: short stacking energy: -196.363
Base-Backbone interact. energy: 1.672
local terms energy: -245.194989
where:
bonds (distance) C4'-P energy: -59.998
bonds (distance) P-C4' energy: -58.530
flat angles C4'-P-C4' energy: -56.396
flat angles P-C4'-P energy: -43.346
tors. eta vs tors. theta energy: -26.926
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: 8, replica: 6
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -461.398009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.398009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.398009 (E_RNA)
where:
Base-Base interactions energy: -241.166
where: short stacking energy: -128.299
Base-Backbone interact. energy: -0.603
local terms energy: -219.629682
where:
bonds (distance) C4'-P energy: -56.718
bonds (distance) P-C4' energy: -61.907
flat angles C4'-P-C4' energy: -52.218
flat angles P-C4'-P energy: -36.722
tors. eta vs tors. theta energy: -12.065
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: 5
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -387.342665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.342665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.342665 (E_RNA)
where:
Base-Base interactions energy: -168.864
where: short stacking energy: -100.552
Base-Backbone interact. energy: 2.127
local terms energy: -220.606629
where:
bonds (distance) C4'-P energy: -55.932
bonds (distance) P-C4' energy: -65.690
flat angles C4'-P-C4' energy: -63.619
flat angles P-C4'-P energy: -40.118
tors. eta vs tors. theta energy: 4.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -265.389673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.389673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.389673 (E_RNA)
where:
Base-Base interactions energy: -100.649
where: short stacking energy: -89.557
Base-Backbone interact. energy: -2.004
local terms energy: -162.736772
where:
bonds (distance) C4'-P energy: -56.716
bonds (distance) P-C4' energy: -51.893
flat angles C4'-P-C4' energy: -34.529
flat angles P-C4'-P energy: -23.084
tors. eta vs tors. theta energy: 3.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1037.711486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.711486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.711486 (E_RNA)
where:
Base-Base interactions energy: -707.683
where: short stacking energy: -299.289
Base-Backbone interact. energy: -2.206
local terms energy: -327.822310
where:
bonds (distance) C4'-P energy: -64.882
bonds (distance) P-C4' energy: -66.821
flat angles C4'-P-C4' energy: -73.736
flat angles P-C4'-P energy: -42.420
tors. eta vs tors. theta energy: -79.964
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: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1017.439786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.439786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.439786 (E_RNA)
where:
Base-Base interactions energy: -664.211
where: short stacking energy: -324.965
Base-Backbone interact. energy: -2.137
local terms energy: -351.091169
where:
bonds (distance) C4'-P energy: -65.096
bonds (distance) P-C4' energy: -64.162
flat angles C4'-P-C4' energy: -70.088
flat angles P-C4'-P energy: -53.448
tors. eta vs tors. theta energy: -98.298
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: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -906.130877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.130877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.130877 (E_RNA)
where:
Base-Base interactions energy: -576.965
where: short stacking energy: -293.030
Base-Backbone interact. energy: 3.870
local terms energy: -333.034944
where:
bonds (distance) C4'-P energy: -60.724
bonds (distance) P-C4' energy: -59.897
flat angles C4'-P-C4' energy: -74.324
flat angles P-C4'-P energy: -48.938
tors. eta vs tors. theta energy: -89.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -945.115564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.115564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.115564 (E_RNA)
where:
Base-Base interactions energy: -646.761
where: short stacking energy: -281.632
Base-Backbone interact. energy: 1.552
local terms energy: -299.906907
where:
bonds (distance) C4'-P energy: -61.139
bonds (distance) P-C4' energy: -56.069
flat angles C4'-P-C4' energy: -67.277
flat angles P-C4'-P energy: -38.777
tors. eta vs tors. theta energy: -76.645
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: 5, replica: 7
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -855.244390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.244390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.244390 (E_RNA)
where:
Base-Base interactions energy: -579.510
where: short stacking energy: -235.606
Base-Backbone interact. energy: 5.620
local terms energy: -281.354212
where:
bonds (distance) C4'-P energy: -62.060
bonds (distance) P-C4' energy: -49.354
flat angles C4'-P-C4' energy: -62.692
flat angles P-C4'-P energy: -44.945
tors. eta vs tors. theta energy: -62.302
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: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -668.939920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.939920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.939920 (E_RNA)
where:
Base-Base interactions energy: -407.629
where: short stacking energy: -200.912
Base-Backbone interact. energy: 0.672
local terms energy: -261.982725
where:
bonds (distance) C4'-P energy: -53.347
bonds (distance) P-C4' energy: -68.116
flat angles C4'-P-C4' energy: -63.334
flat angles P-C4'-P energy: -33.741
tors. eta vs tors. theta energy: -43.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -689.350649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.350649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.350649 (E_RNA)
where:
Base-Base interactions energy: -426.661
where: short stacking energy: -205.385
Base-Backbone interact. energy: -2.672
local terms energy: -260.017469
where:
bonds (distance) C4'-P energy: -48.540
bonds (distance) P-C4' energy: -61.678
flat angles C4'-P-C4' energy: -62.120
flat angles P-C4'-P energy: -40.127
tors. eta vs tors. theta energy: -47.552
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: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -479.143400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.143400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.143400 (E_RNA)
where:
Base-Base interactions energy: -271.828
where: short stacking energy: -137.051
Base-Backbone interact. energy: -1.950
local terms energy: -205.365482
where:
bonds (distance) C4'-P energy: -53.321
bonds (distance) P-C4' energy: -61.103
flat angles C4'-P-C4' energy: -41.558
flat angles P-C4'-P energy: -33.506
tors. eta vs tors. theta energy: -15.877
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: 5
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -356.517344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.517344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.517344 (E_RNA)
where:
Base-Base interactions energy: -163.299
where: short stacking energy: -91.812
Base-Backbone interact. energy: -0.071
local terms energy: -193.147592
where:
bonds (distance) C4'-P energy: -54.243
bonds (distance) P-C4' energy: -66.216
flat angles C4'-P-C4' energy: -54.454
flat angles P-C4'-P energy: -31.877
tors. eta vs tors. theta energy: 13.642
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: 10, replica: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -305.589182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.589182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.589182 (E_RNA)
where:
Base-Base interactions energy: -96.650
where: short stacking energy: -91.456
Base-Backbone interact. energy: 2.353
local terms energy: -211.292828
where:
bonds (distance) C4'-P energy: -57.774
bonds (distance) P-C4' energy: -60.585
flat angles C4'-P-C4' energy: -56.685
flat angles P-C4'-P energy: -26.123
tors. eta vs tors. theta energy: -10.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1061.630343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.630343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.630343 (E_RNA)
where:
Base-Base interactions energy: -712.299
where: short stacking energy: -296.911
Base-Backbone interact. energy: -1.128
local terms energy: -348.202983
where:
bonds (distance) C4'-P energy: -70.393
bonds (distance) P-C4' energy: -65.587
flat angles C4'-P-C4' energy: -73.768
flat angles P-C4'-P energy: -51.524
tors. eta vs tors. theta energy: -86.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1001.197755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.197755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.197755 (E_RNA)
where:
Base-Base interactions energy: -663.277
where: short stacking energy: -298.109
Base-Backbone interact. energy: -2.141
local terms energy: -335.780053
where:
bonds (distance) C4'-P energy: -54.732
bonds (distance) P-C4' energy: -67.710
flat angles C4'-P-C4' energy: -74.839
flat angles P-C4'-P energy: -50.943
tors. eta vs tors. theta energy: -87.556
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: 235
Temperature: 1.000000
Total energy: -894.736002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.736002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.736002 (E_RNA)
where:
Base-Base interactions energy: -570.911
where: short stacking energy: -282.629
Base-Backbone interact. energy: -0.274
local terms energy: -323.551609
where:
bonds (distance) C4'-P energy: -55.714
bonds (distance) P-C4' energy: -68.670
flat angles C4'-P-C4' energy: -63.515
flat angles P-C4'-P energy: -54.796
tors. eta vs tors. theta energy: -80.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -935.072294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.072294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.072294 (E_RNA)
where:
Base-Base interactions energy: -649.104
where: short stacking energy: -280.344
Base-Backbone interact. energy: 0.866
local terms energy: -286.834557
where:
bonds (distance) C4'-P energy: -59.368
bonds (distance) P-C4' energy: -47.897
flat angles C4'-P-C4' energy: -71.278
flat angles P-C4'-P energy: -36.251
tors. eta vs tors. theta energy: -72.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -827.940459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.940459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.940459 (E_RNA)
where:
Base-Base interactions energy: -550.328
where: short stacking energy: -247.948
Base-Backbone interact. energy: -1.381
local terms energy: -276.231755
where:
bonds (distance) C4'-P energy: -51.424
bonds (distance) P-C4' energy: -62.736
flat angles C4'-P-C4' energy: -60.467
flat angles P-C4'-P energy: -37.332
tors. eta vs tors. theta energy: -64.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -719.438311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.438311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.438311 (E_RNA)
where:
Base-Base interactions energy: -478.327
where: short stacking energy: -204.297
Base-Backbone interact. energy: -0.536
local terms energy: -240.575553
where:
bonds (distance) C4'-P energy: -50.445
bonds (distance) P-C4' energy: -51.404
flat angles C4'-P-C4' energy: -61.570
flat angles P-C4'-P energy: -34.462
tors. eta vs tors. theta energy: -42.694
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: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -719.983383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.983383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.983383 (E_RNA)
where:
Base-Base interactions energy: -457.334
where: short stacking energy: -215.061
Base-Backbone interact. energy: 1.494
local terms energy: -264.143455
where:
bonds (distance) C4'-P energy: -54.977
bonds (distance) P-C4' energy: -72.076
flat angles C4'-P-C4' energy: -63.661
flat angles P-C4'-P energy: -26.829
tors. eta vs tors. theta energy: -46.600
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: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -504.383641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.383641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.383641 (E_RNA)
where:
Base-Base interactions energy: -293.134
where: short stacking energy: -155.235
Base-Backbone interact. energy: -1.131
local terms energy: -210.118307
where:
bonds (distance) C4'-P energy: -46.647
bonds (distance) P-C4' energy: -48.977
flat angles C4'-P-C4' energy: -68.066
flat angles P-C4'-P energy: -26.093
tors. eta vs tors. theta energy: -20.336
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: 9, replica: 5
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -343.020528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.020528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.020528 (E_RNA)
where:
Base-Base interactions energy: -167.338
where: short stacking energy: -97.805
Base-Backbone interact. energy: -0.866
local terms energy: -174.816364
where:
bonds (distance) C4'-P energy: -49.941
bonds (distance) P-C4' energy: -55.751
flat angles C4'-P-C4' energy: -36.424
flat angles P-C4'-P energy: -33.995
tors. eta vs tors. theta energy: 1.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -259.341052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.341052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.341052 (E_RNA)
where:
Base-Base interactions energy: -102.067
where: short stacking energy: -80.614
Base-Backbone interact. energy: -1.168
local terms energy: -156.105448
where:
bonds (distance) C4'-P energy: -48.490
bonds (distance) P-C4' energy: -43.095
flat angles C4'-P-C4' energy: -44.952
flat angles P-C4'-P energy: -29.500
tors. eta vs tors. theta energy: 9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1025.777465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.777465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.777465 (E_RNA)
where:
Base-Base interactions energy: -709.165
where: short stacking energy: -295.130
Base-Backbone interact. energy: -1.632
local terms energy: -314.980966
where:
bonds (distance) C4'-P energy: -54.666
bonds (distance) P-C4' energy: -67.739
flat angles C4'-P-C4' energy: -64.925
flat angles P-C4'-P energy: -50.320
tors. eta vs tors. theta energy: -77.330
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: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1004.947224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.947224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.947224 (E_RNA)
where:
Base-Base interactions energy: -665.981
where: short stacking energy: -316.589
Base-Backbone interact. energy: -1.855
local terms energy: -337.110777
where:
bonds (distance) C4'-P energy: -60.907
bonds (distance) P-C4' energy: -65.871
flat angles C4'-P-C4' energy: -65.952
flat angles P-C4'-P energy: -54.838
tors. eta vs tors. theta energy: -89.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -952.619468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.619468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.619468 (E_RNA)
where:
Base-Base interactions energy: -667.014
where: short stacking energy: -281.603
Base-Backbone interact. energy: 0.674
local terms energy: -286.280010
where:
bonds (distance) C4'-P energy: -60.406
bonds (distance) P-C4' energy: -63.958
flat angles C4'-P-C4' energy: -62.101
flat angles P-C4'-P energy: -35.202
tors. eta vs tors. theta energy: -64.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -852.697428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.697428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.697428 (E_RNA)
where:
Base-Base interactions energy: -552.892
where: short stacking energy: -248.088
Base-Backbone interact. energy: -0.353
local terms energy: -300.185581
where:
bonds (distance) C4'-P energy: -58.825
bonds (distance) P-C4' energy: -60.231
flat angles C4'-P-C4' energy: -65.613
flat angles P-C4'-P energy: -54.502
tors. eta vs tors. theta energy: -61.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.732 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -860.139330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.139330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.139330 (E_RNA)
where:
Base-Base interactions energy: -588.330
where: short stacking energy: -268.467
Base-Backbone interact. energy: -0.012
local terms energy: -271.797714
where:
bonds (distance) C4'-P energy: -50.217
bonds (distance) P-C4' energy: -64.929
flat angles C4'-P-C4' energy: -58.012
flat angles P-C4'-P energy: -36.088
tors. eta vs tors. theta energy: -62.552
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: 1
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -699.948667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.948667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.948667 (E_RNA)
where:
Base-Base interactions energy: -444.199
where: short stacking energy: -196.042
Base-Backbone interact. energy: -2.657
local terms energy: -253.092451
where:
bonds (distance) C4'-P energy: -56.963
bonds (distance) P-C4' energy: -60.114
flat angles C4'-P-C4' energy: -58.353
flat angles P-C4'-P energy: -33.934
tors. eta vs tors. theta energy: -43.728
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: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -614.415234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.415234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.415234 (E_RNA)
where:
Base-Base interactions energy: -380.985
where: short stacking energy: -163.476
Base-Backbone interact. energy: 1.436
local terms energy: -234.866790
where:
bonds (distance) C4'-P energy: -48.328
bonds (distance) P-C4' energy: -60.145
flat angles C4'-P-C4' energy: -55.703
flat angles P-C4'-P energy: -44.459
tors. eta vs tors. theta energy: -26.231
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: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -457.406032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.406032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.406032 (E_RNA)
where:
Base-Base interactions energy: -245.703
where: short stacking energy: -120.957
Base-Backbone interact. energy: -0.617
local terms energy: -211.086063
where:
bonds (distance) C4'-P energy: -53.652
bonds (distance) P-C4' energy: -68.696
flat angles C4'-P-C4' energy: -47.409
flat angles P-C4'-P energy: -35.623
tors. eta vs tors. theta energy: -5.707
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: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -288.622429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.622429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.622429 (E_RNA)
where:
Base-Base interactions energy: -108.337
where: short stacking energy: -95.262
Base-Backbone interact. energy: 0.178
local terms energy: -180.845358
where:
bonds (distance) C4'-P energy: -44.468
bonds (distance) P-C4' energy: -48.184
flat angles C4'-P-C4' energy: -60.428
flat angles P-C4'-P energy: -21.557
tors. eta vs tors. theta energy: -6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.381 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -326.688859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.688859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.688859 (E_RNA)
where:
Base-Base interactions energy: -146.702
where: short stacking energy: -105.052
Base-Backbone interact. energy: -1.070
local terms energy: -178.916704
where:
bonds (distance) C4'-P energy: -53.944
bonds (distance) P-C4' energy: -50.004
flat angles C4'-P-C4' energy: -47.799
flat angles P-C4'-P energy: -32.600
tors. eta vs tors. theta energy: 5.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1062.050869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.050869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.050869 (E_RNA)
where:
Base-Base interactions energy: -716.311
where: short stacking energy: -313.263
Base-Backbone interact. energy: -0.686
local terms energy: -345.053759
where:
bonds (distance) C4'-P energy: -70.872
bonds (distance) P-C4' energy: -63.276
flat angles C4'-P-C4' energy: -71.517
flat angles P-C4'-P energy: -53.442
tors. eta vs tors. theta energy: -85.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1010.032629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.032629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.032629 (E_RNA)
where:
Base-Base interactions energy: -659.765
where: short stacking energy: -316.933
Base-Backbone interact. energy: 0.777
local terms energy: -351.045011
where:
bonds (distance) C4'-P energy: -68.813
bonds (distance) P-C4' energy: -64.819
flat angles C4'-P-C4' energy: -74.715
flat angles P-C4'-P energy: -55.509
tors. eta vs tors. theta energy: -87.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -980.258726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.258726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.258726 (E_RNA)
where:
Base-Base interactions energy: -659.091
where: short stacking energy: -286.307
Base-Backbone interact. energy: -1.937
local terms energy: -319.230781
where:
bonds (distance) C4'-P energy: -65.075
bonds (distance) P-C4' energy: -62.120
flat angles C4'-P-C4' energy: -75.545
flat angles P-C4'-P energy: -42.635
tors. eta vs tors. theta energy: -73.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -834.262778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.262778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.262778 (E_RNA)
where:
Base-Base interactions energy: -567.750
where: short stacking energy: -238.674
Base-Backbone interact. energy: 1.932
local terms energy: -268.444788
where:
bonds (distance) C4'-P energy: -59.871
bonds (distance) P-C4' energy: -64.028
flat angles C4'-P-C4' energy: -55.525
flat angles P-C4'-P energy: -35.552
tors. eta vs tors. theta energy: -53.469
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: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -816.737641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.737641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.737641 (E_RNA)
where:
Base-Base interactions energy: -524.759
where: short stacking energy: -250.215
Base-Backbone interact. energy: 0.371
local terms energy: -292.350220
where:
bonds (distance) C4'-P energy: -58.601
bonds (distance) P-C4' energy: -61.721
flat angles C4'-P-C4' energy: -64.480
flat angles P-C4'-P energy: -38.732
tors. eta vs tors. theta energy: -68.816
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: 6, replica: 1
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -733.907924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.907924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.907924 (E_RNA)
where:
Base-Base interactions energy: -456.885
where: short stacking energy: -225.518
Base-Backbone interact. energy: -1.090
local terms energy: -275.933021
where:
bonds (distance) C4'-P energy: -58.359
bonds (distance) P-C4' energy: -62.680
flat angles C4'-P-C4' energy: -60.657
flat angles P-C4'-P energy: -36.089
tors. eta vs tors. theta energy: -58.148
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: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -652.391281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.391281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.391281 (E_RNA)
where:
Base-Base interactions energy: -407.009
where: short stacking energy: -189.535
Base-Backbone interact. energy: 1.918
local terms energy: -247.300428
where:
bonds (distance) C4'-P energy: -57.456
bonds (distance) P-C4' energy: -57.838
flat angles C4'-P-C4' energy: -59.577
flat angles P-C4'-P energy: -38.022
tors. eta vs tors. theta energy: -34.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -468.912747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.912747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.912747 (E_RNA)
where:
Base-Base interactions energy: -235.428
where: short stacking energy: -131.351
Base-Backbone interact. energy: 0.777
local terms energy: -234.261895
where:
bonds (distance) C4'-P energy: -63.590
bonds (distance) P-C4' energy: -56.753
flat angles C4'-P-C4' energy: -47.127
flat angles P-C4'-P energy: -35.715
tors. eta vs tors. theta energy: -31.076
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: 3
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -277.257488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.257488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.257488 (E_RNA)
where:
Base-Base interactions energy: -88.939
where: short stacking energy: -83.624
Base-Backbone interact. energy: 2.042
local terms energy: -190.360638
where:
bonds (distance) C4'-P energy: -56.250
bonds (distance) P-C4' energy: -62.282
flat angles C4'-P-C4' energy: -45.545
flat angles P-C4'-P energy: -37.552
tors. eta vs tors. theta energy: 11.269
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: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -305.565370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.565370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.565370 (E_RNA)
where:
Base-Base interactions energy: -132.130
where: short stacking energy: -90.843
Base-Backbone interact. energy: 1.504
local terms energy: -176.161637
where:
bonds (distance) C4'-P energy: -42.899
bonds (distance) P-C4' energy: -50.530
flat angles C4'-P-C4' energy: -49.609
flat angles P-C4'-P energy: -31.205
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.223 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1041.749886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.749886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.749886 (E_RNA)
where:
Base-Base interactions energy: -685.313
where: short stacking energy: -335.018
Base-Backbone interact. energy: -0.393
local terms energy: -356.044397
where:
bonds (distance) C4'-P energy: -65.847
bonds (distance) P-C4' energy: -64.616
flat angles C4'-P-C4' energy: -72.222
flat angles P-C4'-P energy: -53.537
tors. eta vs tors. theta energy: -99.822
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: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1045.346274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.346274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.346274 (E_RNA)
where:
Base-Base interactions energy: -709.917
where: short stacking energy: -322.507
Base-Backbone interact. energy: 0.167
local terms energy: -335.595692
where:
bonds (distance) C4'-P energy: -54.959
bonds (distance) P-C4' energy: -65.002
flat angles C4'-P-C4' energy: -74.590
flat angles P-C4'-P energy: -51.968
tors. eta vs tors. theta energy: -89.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -991.661751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.661751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.661751 (E_RNA)
where:
Base-Base interactions energy: -673.572
where: short stacking energy: -293.664
Base-Backbone interact. energy: -3.440
local terms energy: -314.649709
where:
bonds (distance) C4'-P energy: -61.815
bonds (distance) P-C4' energy: -60.553
flat angles C4'-P-C4' energy: -70.033
flat angles P-C4'-P energy: -42.582
tors. eta vs tors. theta energy: -79.666
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: 7
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -861.525787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.525787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.525787 (E_RNA)
where:
Base-Base interactions energy: -565.950
where: short stacking energy: -240.346
Base-Backbone interact. energy: -1.787
local terms energy: -293.788972
where:
bonds (distance) C4'-P energy: -60.721
bonds (distance) P-C4' energy: -61.800
flat angles C4'-P-C4' energy: -68.030
flat angles P-C4'-P energy: -43.848
tors. eta vs tors. theta energy: -59.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -826.050788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.050788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.050788 (E_RNA)
where:
Base-Base interactions energy: -527.679
where: short stacking energy: -245.291
Base-Backbone interact. energy: -2.739
local terms energy: -295.632284
where:
bonds (distance) C4'-P energy: -50.376
bonds (distance) P-C4' energy: -71.352
flat angles C4'-P-C4' energy: -62.689
flat angles P-C4'-P energy: -40.776
tors. eta vs tors. theta energy: -70.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -744.559017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.559017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.559017 (E_RNA)
where:
Base-Base interactions energy: -448.176
where: short stacking energy: -223.472
Base-Backbone interact. energy: -1.043
local terms energy: -295.340000
where:
bonds (distance) C4'-P energy: -60.352
bonds (distance) P-C4' energy: -74.821
flat angles C4'-P-C4' energy: -63.416
flat angles P-C4'-P energy: -36.391
tors. eta vs tors. theta energy: -60.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -693.523296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.523296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.523296 (E_RNA)
where:
Base-Base interactions energy: -450.449
where: short stacking energy: -197.097
Base-Backbone interact. energy: -1.218
local terms energy: -241.856417
where:
bonds (distance) C4'-P energy: -43.923
bonds (distance) P-C4' energy: -62.407
flat angles C4'-P-C4' energy: -44.641
flat angles P-C4'-P energy: -36.503
tors. eta vs tors. theta energy: -54.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -477.402891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.402891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.402891 (E_RNA)
where:
Base-Base interactions energy: -276.533
where: short stacking energy: -144.411
Base-Backbone interact. energy: 0.493
local terms energy: -203.226004
where:
bonds (distance) C4'-P energy: -54.246
bonds (distance) P-C4' energy: -53.195
flat angles C4'-P-C4' energy: -43.298
flat angles P-C4'-P energy: -25.121
tors. eta vs tors. theta energy: -27.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.863 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -359.389249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.389249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.389249 (E_RNA)
where:
Base-Base interactions energy: -171.810
where: short stacking energy: -126.300
Base-Backbone interact. energy: -1.383
local terms energy: -186.196320
where:
bonds (distance) C4'-P energy: -52.067
bonds (distance) P-C4' energy: -47.180
flat angles C4'-P-C4' energy: -44.465
flat angles P-C4'-P energy: -32.898
tors. eta vs tors. theta energy: -9.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -290.506899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.506899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.506899 (E_RNA)
where:
Base-Base interactions energy: -107.783
where: short stacking energy: -86.247
Base-Backbone interact. energy: -1.247
local terms energy: -181.477145
where:
bonds (distance) C4'-P energy: -51.310
bonds (distance) P-C4' energy: -55.507
flat angles C4'-P-C4' energy: -50.540
flat angles P-C4'-P energy: -24.592
tors. eta vs tors. theta energy: 0.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1043.561805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.561805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.561805 (E_RNA)
where:
Base-Base interactions energy: -700.125
where: short stacking energy: -329.058
Base-Backbone interact. energy: -1.468
local terms energy: -341.968956
where:
bonds (distance) C4'-P energy: -62.606
bonds (distance) P-C4' energy: -70.492
flat angles C4'-P-C4' energy: -69.018
flat angles P-C4'-P energy: -54.483
tors. eta vs tors. theta energy: -85.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1039.298595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.298595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.298595 (E_RNA)
where:
Base-Base interactions energy: -712.779
where: short stacking energy: -316.377
Base-Backbone interact. energy: -3.231
local terms energy: -323.289032
where:
bonds (distance) C4'-P energy: -56.004
bonds (distance) P-C4' energy: -71.026
flat angles C4'-P-C4' energy: -66.846
flat angles P-C4'-P energy: -44.571
tors. eta vs tors. theta energy: -84.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -996.587777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.587777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.587777 (E_RNA)
where:
Base-Base interactions energy: -684.262
where: short stacking energy: -291.878
Base-Backbone interact. energy: -3.875
local terms energy: -308.450092
where:
bonds (distance) C4'-P energy: -60.721
bonds (distance) P-C4' energy: -60.954
flat angles C4'-P-C4' energy: -63.532
flat angles P-C4'-P energy: -40.513
tors. eta vs tors. theta energy: -82.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -838.509876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.509876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.509876 (E_RNA)
where:
Base-Base interactions energy: -581.501
where: short stacking energy: -248.075
Base-Backbone interact. energy: -2.753
local terms energy: -254.255851
where:
bonds (distance) C4'-P energy: -56.410
bonds (distance) P-C4' energy: -54.129
flat angles C4'-P-C4' energy: -56.406
flat angles P-C4'-P energy: -29.174
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: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -804.044791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.044791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.044791 (E_RNA)
where:
Base-Base interactions energy: -520.474
where: short stacking energy: -224.955
Base-Backbone interact. energy: -1.702
local terms energy: -282.129844
where:
bonds (distance) C4'-P energy: -56.950
bonds (distance) P-C4' energy: -65.961
flat angles C4'-P-C4' energy: -64.269
flat angles P-C4'-P energy: -39.959
tors. eta vs tors. theta energy: -54.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.261 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -771.882967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.882967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.882967 (E_RNA)
where:
Base-Base interactions energy: -494.238
where: short stacking energy: -231.863
Base-Backbone interact. energy: -1.025
local terms energy: -276.620607
where:
bonds (distance) C4'-P energy: -55.064
bonds (distance) P-C4' energy: -53.571
flat angles C4'-P-C4' energy: -65.243
flat angles P-C4'-P energy: -44.277
tors. eta vs tors. theta energy: -58.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -655.869253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.869253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.869253 (E_RNA)
where:
Base-Base interactions energy: -418.557
where: short stacking energy: -177.726
Base-Backbone interact. energy: 2.254
local terms energy: -239.566168
where:
bonds (distance) C4'-P energy: -58.697
bonds (distance) P-C4' energy: -69.787
flat angles C4'-P-C4' energy: -48.499
flat angles P-C4'-P energy: -27.160
tors. eta vs tors. theta energy: -35.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -453.451195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.451195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.451195 (E_RNA)
where:
Base-Base interactions energy: -244.772
where: short stacking energy: -131.856
Base-Backbone interact. energy: 6.001
local terms energy: -215.460067
where:
bonds (distance) C4'-P energy: -48.119
bonds (distance) P-C4' energy: -55.379
flat angles C4'-P-C4' energy: -53.975
flat angles P-C4'-P energy: -35.237
tors. eta vs tors. theta energy: -22.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.780 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -337.884365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.884365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.884365 (E_RNA)
where:
Base-Base interactions energy: -148.455
where: short stacking energy: -98.413
Base-Backbone interact. energy: -0.501
local terms energy: -188.928322
where:
bonds (distance) C4'-P energy: -54.074
bonds (distance) P-C4' energy: -48.723
flat angles C4'-P-C4' energy: -55.183
flat angles P-C4'-P energy: -27.739
tors. eta vs tors. theta energy: -3.210
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: 3
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -291.604611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.604611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.604611 (E_RNA)
where:
Base-Base interactions energy: -126.649
where: short stacking energy: -97.458
Base-Backbone interact. energy: 0.532
local terms energy: -166.133514
where:
bonds (distance) C4'-P energy: -47.988
bonds (distance) P-C4' energy: -53.843
flat angles C4'-P-C4' energy: -41.357
flat angles P-C4'-P energy: -18.137
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.646 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1044.363825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.363825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.363825 (E_RNA)
where:
Base-Base interactions energy: -694.039
where: short stacking energy: -311.141
Base-Backbone interact. energy: -1.529
local terms energy: -349.323384
where:
bonds (distance) C4'-P energy: -68.601
bonds (distance) P-C4' energy: -56.730
flat angles C4'-P-C4' energy: -73.688
flat angles P-C4'-P energy: -53.803
tors. eta vs tors. theta energy: -96.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.528 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1024.581770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.581770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.581770 (E_RNA)
where:
Base-Base interactions energy: -700.560
where: short stacking energy: -298.251
Base-Backbone interact. energy: -1.252
local terms energy: -322.769818
where:
bonds (distance) C4'-P energy: -64.910
bonds (distance) P-C4' energy: -60.850
flat angles C4'-P-C4' energy: -65.942
flat angles P-C4'-P energy: -46.878
tors. eta vs tors. theta energy: -84.189
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: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1019.294713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.294713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.294713 (E_RNA)
where:
Base-Base interactions energy: -700.828
where: short stacking energy: -294.688
Base-Backbone interact. energy: -2.926
local terms energy: -315.540254
where:
bonds (distance) C4'-P energy: -67.558
bonds (distance) P-C4' energy: -61.720
flat angles C4'-P-C4' energy: -69.720
flat angles P-C4'-P energy: -35.435
tors. eta vs tors. theta energy: -81.107
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: 7
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -838.883559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.883559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.883559 (E_RNA)
where:
Base-Base interactions energy: -560.656
where: short stacking energy: -228.179
Base-Backbone interact. energy: -1.822
local terms energy: -276.405309
where:
bonds (distance) C4'-P energy: -53.207
bonds (distance) P-C4' energy: -58.274
flat angles C4'-P-C4' energy: -62.643
flat angles P-C4'-P energy: -46.780
tors. eta vs tors. theta energy: -55.503
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: 5, replica: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -800.581240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.581240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.581240 (E_RNA)
where:
Base-Base interactions energy: -512.328
where: short stacking energy: -245.532
Base-Backbone interact. energy: -1.560
local terms energy: -286.693079
where:
bonds (distance) C4'-P energy: -44.709
bonds (distance) P-C4' energy: -58.399
flat angles C4'-P-C4' energy: -71.069
flat angles P-C4'-P energy: -37.911
tors. eta vs tors. theta energy: -74.606
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: 1
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -784.191013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.191013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.191013 (E_RNA)
where:
Base-Base interactions energy: -503.873
where: short stacking energy: -214.334
Base-Backbone interact. energy: -1.047
local terms energy: -279.270821
where:
bonds (distance) C4'-P energy: -51.643
bonds (distance) P-C4' energy: -57.159
flat angles C4'-P-C4' energy: -67.344
flat angles P-C4'-P energy: -35.898
tors. eta vs tors. theta energy: -67.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -655.857603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.857603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.857603 (E_RNA)
where:
Base-Base interactions energy: -411.565
where: short stacking energy: -154.862
Base-Backbone interact. energy: -2.377
local terms energy: -241.915450
where:
bonds (distance) C4'-P energy: -56.136
bonds (distance) P-C4' energy: -58.712
flat angles C4'-P-C4' energy: -53.323
flat angles P-C4'-P energy: -45.135
tors. eta vs tors. theta energy: -28.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -465.011813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.011813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.011813 (E_RNA)
where:
Base-Base interactions energy: -277.363
where: short stacking energy: -123.208
Base-Backbone interact. energy: 4.205
local terms energy: -191.854130
where:
bonds (distance) C4'-P energy: -54.310
bonds (distance) P-C4' energy: -66.127
flat angles C4'-P-C4' energy: -37.827
flat angles P-C4'-P energy: -24.890
tors. eta vs tors. theta energy: -8.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -288.077890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.077890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.077890 (E_RNA)
where:
Base-Base interactions energy: -98.970
where: short stacking energy: -94.558
Base-Backbone interact. energy: -1.649
local terms energy: -187.459099
where:
bonds (distance) C4'-P energy: -52.453
bonds (distance) P-C4' energy: -60.920
flat angles C4'-P-C4' energy: -46.742
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -357.825127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.825127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.825127 (E_RNA)
where:
Base-Base interactions energy: -172.558
where: short stacking energy: -124.321
Base-Backbone interact. energy: 2.179
local terms energy: -187.445894
where:
bonds (distance) C4'-P energy: -40.511
bonds (distance) P-C4' energy: -54.202
flat angles C4'-P-C4' energy: -53.867
flat angles P-C4'-P energy: -37.930
tors. eta vs tors. theta energy: -0.935
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: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1033.177173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.177173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.177173 (E_RNA)
where:
Base-Base interactions energy: -678.001
where: short stacking energy: -316.881
Base-Backbone interact. energy: -1.386
local terms energy: -353.789952
where:
bonds (distance) C4'-P energy: -55.392
bonds (distance) P-C4' energy: -70.880
flat angles C4'-P-C4' energy: -77.141
flat angles P-C4'-P energy: -56.839
tors. eta vs tors. theta energy: -93.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1052.744842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.744842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.744842 (E_RNA)
where:
Base-Base interactions energy: -718.641
where: short stacking energy: -321.631
Base-Backbone interact. energy: -2.690
local terms energy: -331.413546
where:
bonds (distance) C4'-P energy: -55.105
bonds (distance) P-C4' energy: -69.977
flat angles C4'-P-C4' energy: -69.035
flat angles P-C4'-P energy: -48.334
tors. eta vs tors. theta energy: -88.964
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: 241
Temperature: 1.000000
Total energy: -1002.257410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.257410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.257410 (E_RNA)
where:
Base-Base interactions energy: -678.187
where: short stacking energy: -281.632
Base-Backbone interact. energy: -3.063
local terms energy: -321.007610
where:
bonds (distance) C4'-P energy: -71.508
bonds (distance) P-C4' energy: -57.539
flat angles C4'-P-C4' energy: -65.583
flat angles P-C4'-P energy: -42.698
tors. eta vs tors. theta energy: -83.680
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: 4, replica: 7
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -872.147884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.147884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.147884 (E_RNA)
where:
Base-Base interactions energy: -586.468
where: short stacking energy: -279.093
Base-Backbone interact. energy: -1.991
local terms energy: -283.688857
where:
bonds (distance) C4'-P energy: -59.252
bonds (distance) P-C4' energy: -62.562
flat angles C4'-P-C4' energy: -61.441
flat angles P-C4'-P energy: -37.651
tors. eta vs tors. theta energy: -62.783
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: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -838.166200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.166200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.166200 (E_RNA)
where:
Base-Base interactions energy: -539.296
where: short stacking energy: -265.651
Base-Backbone interact. energy: -0.714
local terms energy: -298.156036
where:
bonds (distance) C4'-P energy: -63.030
bonds (distance) P-C4' energy: -59.526
flat angles C4'-P-C4' energy: -61.558
flat angles P-C4'-P energy: -47.643
tors. eta vs tors. theta energy: -66.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -757.114695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.114695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.114695 (E_RNA)
where:
Base-Base interactions energy: -478.488
where: short stacking energy: -211.620
Base-Backbone interact. energy: -1.154
local terms energy: -277.472396
where:
bonds (distance) C4'-P energy: -62.506
bonds (distance) P-C4' energy: -58.677
flat angles C4'-P-C4' energy: -68.557
flat angles P-C4'-P energy: -31.490
tors. eta vs tors. theta energy: -56.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -672.534066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.534066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.534066 (E_RNA)
where:
Base-Base interactions energy: -417.804
where: short stacking energy: -204.854
Base-Backbone interact. energy: -1.852
local terms energy: -252.878939
where:
bonds (distance) C4'-P energy: -57.066
bonds (distance) P-C4' energy: -60.330
flat angles C4'-P-C4' energy: -57.455
flat angles P-C4'-P energy: -33.421
tors. eta vs tors. theta energy: -44.607
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: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -460.432076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.432076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.432076 (E_RNA)
where:
Base-Base interactions energy: -256.851
where: short stacking energy: -126.586
Base-Backbone interact. energy: -1.497
local terms energy: -202.084072
where:
bonds (distance) C4'-P energy: -64.010
bonds (distance) P-C4' energy: -59.989
flat angles C4'-P-C4' energy: -41.312
flat angles P-C4'-P energy: -35.349
tors. eta vs tors. theta energy: -1.423
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: 3
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -293.768417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.768417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.768417 (E_RNA)
where:
Base-Base interactions energy: -128.802
where: short stacking energy: -93.955
Base-Backbone interact. energy: -2.287
local terms energy: -162.678989
where:
bonds (distance) C4'-P energy: -48.274
bonds (distance) P-C4' energy: -56.282
flat angles C4'-P-C4' energy: -40.072
flat angles P-C4'-P energy: -35.384
tors. eta vs tors. theta energy: 17.333
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: 10, replica: 5
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -334.790437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.790437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.790437 (E_RNA)
where:
Base-Base interactions energy: -142.866
where: short stacking energy: -87.272
Base-Backbone interact. energy: 2.240
local terms energy: -194.164093
where:
bonds (distance) C4'-P energy: -41.636
bonds (distance) P-C4' energy: -68.744
flat angles C4'-P-C4' energy: -42.324
flat angles P-C4'-P energy: -36.276
tors. eta vs tors. theta energy: -5.184
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: 1, replica: 8
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1071.221047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.221047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.221047 (E_RNA)
where:
Base-Base interactions energy: -743.981
where: short stacking energy: -313.713
Base-Backbone interact. energy: -3.989
local terms energy: -323.251336
where:
bonds (distance) C4'-P energy: -64.134
bonds (distance) P-C4' energy: -64.836
flat angles C4'-P-C4' energy: -69.691
flat angles P-C4'-P energy: -39.738
tors. eta vs tors. theta energy: -84.853
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: 10
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1018.135554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.135554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.135554 (E_RNA)
where:
Base-Base interactions energy: -669.483
where: short stacking energy: -306.258
Base-Backbone interact. energy: -0.027
local terms energy: -348.625677
where:
bonds (distance) C4'-P energy: -58.322
bonds (distance) P-C4' energy: -76.690
flat angles C4'-P-C4' energy: -74.961
flat angles P-C4'-P energy: -50.015
tors. eta vs tors. theta energy: -88.637
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: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1017.226952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.226952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.226952 (E_RNA)
where:
Base-Base interactions energy: -686.503
where: short stacking energy: -282.032
Base-Backbone interact. energy: -3.735
local terms energy: -326.988813
where:
bonds (distance) C4'-P energy: -58.675
bonds (distance) P-C4' energy: -61.345
flat angles C4'-P-C4' energy: -79.903
flat angles P-C4'-P energy: -46.629
tors. eta vs tors. theta energy: -80.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -863.033085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.033085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.033085 (E_RNA)
where:
Base-Base interactions energy: -572.864
where: short stacking energy: -253.646
Base-Backbone interact. energy: -1.827
local terms energy: -288.342172
where:
bonds (distance) C4'-P energy: -62.283
bonds (distance) P-C4' energy: -60.082
flat angles C4'-P-C4' energy: -63.389
flat angles P-C4'-P energy: -34.208
tors. eta vs tors. theta energy: -68.380
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: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -819.377232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.377232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.377232 (E_RNA)
where:
Base-Base interactions energy: -536.569
where: short stacking energy: -231.386
Base-Backbone interact. energy: -0.367
local terms energy: -282.441585
where:
bonds (distance) C4'-P energy: -53.169
bonds (distance) P-C4' energy: -69.196
flat angles C4'-P-C4' energy: -55.417
flat angles P-C4'-P energy: -47.070
tors. eta vs tors. theta energy: -57.590
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: 6, replica: 1
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -705.450262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.450262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.450262 (E_RNA)
where:
Base-Base interactions energy: -433.765
where: short stacking energy: -214.372
Base-Backbone interact. energy: -0.065
local terms energy: -271.619357
where:
bonds (distance) C4'-P energy: -46.328
bonds (distance) P-C4' energy: -57.163
flat angles C4'-P-C4' energy: -66.279
flat angles P-C4'-P energy: -39.995
tors. eta vs tors. theta energy: -61.855
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: 9
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -595.361491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.361491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.361491 (E_RNA)
where:
Base-Base interactions energy: -361.218
where: short stacking energy: -158.494
Base-Backbone interact. energy: -1.548
local terms energy: -232.594839
where:
bonds (distance) C4'-P energy: -47.180
bonds (distance) P-C4' energy: -63.995
flat angles C4'-P-C4' energy: -58.462
flat angles P-C4'-P energy: -36.528
tors. eta vs tors. theta energy: -26.430
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: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -463.355810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.355810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.355810 (E_RNA)
where:
Base-Base interactions energy: -252.711
where: short stacking energy: -134.585
Base-Backbone interact. energy: 0.316
local terms energy: -210.960747
where:
bonds (distance) C4'-P energy: -57.771
bonds (distance) P-C4' energy: -54.297
flat angles C4'-P-C4' energy: -45.491
flat angles P-C4'-P energy: -38.889
tors. eta vs tors. theta energy: -14.514
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: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -354.635188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.635188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.635188 (E_RNA)
where:
Base-Base interactions energy: -152.401
where: short stacking energy: -108.597
Base-Backbone interact. energy: -2.190
local terms energy: -200.043745
where:
bonds (distance) C4'-P energy: -56.592
bonds (distance) P-C4' energy: -62.101
flat angles C4'-P-C4' energy: -43.124
flat angles P-C4'-P energy: -28.163
tors. eta vs tors. theta energy: -10.064
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: 3
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -261.857775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.857775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.857775 (E_RNA)
where:
Base-Base interactions energy: -94.958
where: short stacking energy: -82.178
Base-Backbone interact. energy: 0.983
local terms energy: -167.882777
where:
bonds (distance) C4'-P energy: -48.904
bonds (distance) P-C4' energy: -49.393
flat angles C4'-P-C4' energy: -40.841
flat angles P-C4'-P energy: -35.754
tors. eta vs tors. theta energy: 7.009
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: 1, replica: 8
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1076.288610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.288610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.288610 (E_RNA)
where:
Base-Base interactions energy: -726.534
where: short stacking energy: -321.005
Base-Backbone interact. energy: -3.079
local terms energy: -346.675274
where:
bonds (distance) C4'-P energy: -65.290
bonds (distance) P-C4' energy: -67.451
flat angles C4'-P-C4' energy: -75.207
flat angles P-C4'-P energy: -44.256
tors. eta vs tors. theta energy: -94.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1009.343404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.343404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.343404 (E_RNA)
where:
Base-Base interactions energy: -663.025
where: short stacking energy: -318.179
Base-Backbone interact. energy: -0.341
local terms energy: -345.976564
where:
bonds (distance) C4'-P energy: -71.225
bonds (distance) P-C4' energy: -60.160
flat angles C4'-P-C4' energy: -68.672
flat angles P-C4'-P energy: -53.571
tors. eta vs tors. theta energy: -92.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -986.348292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.348292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.348292 (E_RNA)
where:
Base-Base interactions energy: -667.930
where: short stacking energy: -271.750
Base-Backbone interact. energy: -1.499
local terms energy: -316.919502
where:
bonds (distance) C4'-P energy: -62.601
bonds (distance) P-C4' energy: -62.233
flat angles C4'-P-C4' energy: -64.568
flat angles P-C4'-P energy: -50.163
tors. eta vs tors. theta energy: -77.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -867.796579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.796579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.796579 (E_RNA)
where:
Base-Base interactions energy: -574.819
where: short stacking energy: -264.680
Base-Backbone interact. energy: -0.202
local terms energy: -292.775394
where:
bonds (distance) C4'-P energy: -48.200
bonds (distance) P-C4' energy: -64.573
flat angles C4'-P-C4' energy: -67.015
flat angles P-C4'-P energy: -42.949
tors. eta vs tors. theta energy: -70.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -840.682586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.682586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.682586 (E_RNA)
where:
Base-Base interactions energy: -533.147
where: short stacking energy: -241.690
Base-Backbone interact. energy: -1.259
local terms energy: -306.277114
where:
bonds (distance) C4'-P energy: -60.542
bonds (distance) P-C4' energy: -65.970
flat angles C4'-P-C4' energy: -63.300
flat angles P-C4'-P energy: -52.610
tors. eta vs tors. theta energy: -63.855
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: 1
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -682.810281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.810281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.810281 (E_RNA)
where:
Base-Base interactions energy: -445.067
where: short stacking energy: -217.083
Base-Backbone interact. energy: -0.750
local terms energy: -236.992970
where:
bonds (distance) C4'-P energy: -44.527
bonds (distance) P-C4' energy: -53.310
flat angles C4'-P-C4' energy: -62.317
flat angles P-C4'-P energy: -29.420
tors. eta vs tors. theta energy: -47.418
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: 7, replica: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -611.494352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.494352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.494352 (E_RNA)
where:
Base-Base interactions energy: -377.750
where: short stacking energy: -162.697
Base-Backbone interact. energy: -2.164
local terms energy: -231.580185
where:
bonds (distance) C4'-P energy: -59.463
bonds (distance) P-C4' energy: -50.939
flat angles C4'-P-C4' energy: -60.614
flat angles P-C4'-P energy: -33.296
tors. eta vs tors. theta energy: -27.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -475.733427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.733427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.733427 (E_RNA)
where:
Base-Base interactions energy: -262.134
where: short stacking energy: -141.547
Base-Backbone interact. energy: 1.432
local terms energy: -215.031182
where:
bonds (distance) C4'-P energy: -49.659
bonds (distance) P-C4' energy: -58.664
flat angles C4'-P-C4' energy: -45.205
flat angles P-C4'-P energy: -42.324
tors. eta vs tors. theta energy: -19.178
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: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -331.072418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.072418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.072418 (E_RNA)
where:
Base-Base interactions energy: -149.055
where: short stacking energy: -103.779
Base-Backbone interact. energy: 1.044
local terms energy: -185.187892
where:
bonds (distance) C4'-P energy: -46.584
bonds (distance) P-C4' energy: -63.903
flat angles C4'-P-C4' energy: -48.147
flat angles P-C4'-P energy: -33.647
tors. eta vs tors. theta energy: 7.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.126 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -271.735122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.735122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.735122 (E_RNA)
where:
Base-Base interactions energy: -102.093
where: short stacking energy: -87.166
Base-Backbone interact. energy: 1.217
local terms energy: -170.858862
where:
bonds (distance) C4'-P energy: -45.525
bonds (distance) P-C4' energy: -51.136
flat angles C4'-P-C4' energy: -51.504
flat angles P-C4'-P energy: -35.754
tors. eta vs tors. theta energy: 13.060
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: 1, replica: 8
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1060.754247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.754247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.754247 (E_RNA)
where:
Base-Base interactions energy: -714.660
where: short stacking energy: -305.355
Base-Backbone interact. energy: -4.654
local terms energy: -341.440546
where:
bonds (distance) C4'-P energy: -68.449
bonds (distance) P-C4' energy: -65.280
flat angles C4'-P-C4' energy: -71.646
flat angles P-C4'-P energy: -49.148
tors. eta vs tors. theta energy: -86.918
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: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -991.674989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.674989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.674989 (E_RNA)
where:
Base-Base interactions energy: -655.388
where: short stacking energy: -280.692
Base-Backbone interact. energy: -1.820
local terms energy: -334.466979
where:
bonds (distance) C4'-P energy: -69.218
bonds (distance) P-C4' energy: -66.674
flat angles C4'-P-C4' energy: -66.396
flat angles P-C4'-P energy: -50.422
tors. eta vs tors. theta energy: -81.756
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: 244
Temperature: 1.000000
Total energy: -983.397738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.397738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.397738 (E_RNA)
where:
Base-Base interactions energy: -668.836
where: short stacking energy: -279.748
Base-Backbone interact. energy: -2.708
local terms energy: -311.853959
where:
bonds (distance) C4'-P energy: -58.533
bonds (distance) P-C4' energy: -63.326
flat angles C4'-P-C4' energy: -63.674
flat angles P-C4'-P energy: -50.899
tors. eta vs tors. theta energy: -75.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -850.327067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.327067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.327067 (E_RNA)
where:
Base-Base interactions energy: -557.274
where: short stacking energy: -259.388
Base-Backbone interact. energy: -0.388
local terms energy: -292.665057
where:
bonds (distance) C4'-P energy: -62.616
bonds (distance) P-C4' energy: -58.635
flat angles C4'-P-C4' energy: -73.273
flat angles P-C4'-P energy: -36.618
tors. eta vs tors. theta energy: -61.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -807.376842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.376842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.376842 (E_RNA)
where:
Base-Base interactions energy: -512.357
where: short stacking energy: -232.664
Base-Backbone interact. energy: 0.025
local terms energy: -295.044432
where:
bonds (distance) C4'-P energy: -61.196
bonds (distance) P-C4' energy: -69.484
flat angles C4'-P-C4' energy: -64.006
flat angles P-C4'-P energy: -39.667
tors. eta vs tors. theta energy: -60.692
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: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -679.460080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.460080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.460080 (E_RNA)
where:
Base-Base interactions energy: -419.712
where: short stacking energy: -201.892
Base-Backbone interact. energy: -0.712
local terms energy: -259.036337
where:
bonds (distance) C4'-P energy: -46.350
bonds (distance) P-C4' energy: -63.136
flat angles C4'-P-C4' energy: -59.930
flat angles P-C4'-P energy: -38.396
tors. eta vs tors. theta energy: -51.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -617.793014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.793014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.793014 (E_RNA)
where:
Base-Base interactions energy: -392.553
where: short stacking energy: -192.655
Base-Backbone interact. energy: 0.077
local terms energy: -225.316699
where:
bonds (distance) C4'-P energy: -45.050
bonds (distance) P-C4' energy: -56.407
flat angles C4'-P-C4' energy: -50.858
flat angles P-C4'-P energy: -35.926
tors. eta vs tors. theta energy: -37.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -476.560235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.560235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.560235 (E_RNA)
where:
Base-Base interactions energy: -272.684
where: short stacking energy: -128.266
Base-Backbone interact. energy: 0.319
local terms energy: -204.195108
where:
bonds (distance) C4'-P energy: -54.223
bonds (distance) P-C4' energy: -63.867
flat angles C4'-P-C4' energy: -44.612
flat angles P-C4'-P energy: -37.371
tors. eta vs tors. theta energy: -4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -295.660536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.660536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.660536 (E_RNA)
where:
Base-Base interactions energy: -100.348
where: short stacking energy: -66.651
Base-Backbone interact. energy: 0.933
local terms energy: -196.253125
where:
bonds (distance) C4'-P energy: -51.314
bonds (distance) P-C4' energy: -55.073
flat angles C4'-P-C4' energy: -51.913
flat angles P-C4'-P energy: -41.731
tors. eta vs tors. theta energy: 3.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.007 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -327.552549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.552549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.552549 (E_RNA)
where:
Base-Base interactions energy: -127.113
where: short stacking energy: -87.366
Base-Backbone interact. energy: -0.966
local terms energy: -199.473035
where:
bonds (distance) C4'-P energy: -59.816
bonds (distance) P-C4' energy: -53.453
flat angles C4'-P-C4' energy: -56.375
flat angles P-C4'-P energy: -24.841
tors. eta vs tors. theta energy: -4.988
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: 1, replica: 8
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1073.909280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.909280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.909280 (E_RNA)
where:
Base-Base interactions energy: -731.883
where: short stacking energy: -319.289
Base-Backbone interact. energy: -1.242
local terms energy: -340.784578
where:
bonds (distance) C4'-P energy: -63.939
bonds (distance) P-C4' energy: -67.100
flat angles C4'-P-C4' energy: -79.128
flat angles P-C4'-P energy: -44.459
tors. eta vs tors. theta energy: -86.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1019.587827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.587827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.587827 (E_RNA)
where:
Base-Base interactions energy: -688.695
where: short stacking energy: -306.029
Base-Backbone interact. energy: -0.914
local terms energy: -329.978603
where:
bonds (distance) C4'-P energy: -52.083
bonds (distance) P-C4' energy: -70.301
flat angles C4'-P-C4' energy: -72.991
flat angles P-C4'-P energy: -46.288
tors. eta vs tors. theta energy: -88.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -949.854334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.854334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.854334 (E_RNA)
where:
Base-Base interactions energy: -625.440
where: short stacking energy: -277.367
Base-Backbone interact. energy: -0.710
local terms energy: -323.703483
where:
bonds (distance) C4'-P energy: -59.625
bonds (distance) P-C4' energy: -58.076
flat angles C4'-P-C4' energy: -77.890
flat angles P-C4'-P energy: -46.444
tors. eta vs tors. theta energy: -81.669
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: 7
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -859.199118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.199118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.199118 (E_RNA)
where:
Base-Base interactions energy: -563.045
where: short stacking energy: -257.561
Base-Backbone interact. energy: -0.234
local terms energy: -295.920200
where:
bonds (distance) C4'-P energy: -54.682
bonds (distance) P-C4' energy: -66.760
flat angles C4'-P-C4' energy: -72.301
flat angles P-C4'-P energy: -42.896
tors. eta vs tors. theta energy: -59.281
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: 2
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -814.178172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.178172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.178172 (E_RNA)
where:
Base-Base interactions energy: -520.691
where: short stacking energy: -246.782
Base-Backbone interact. energy: -0.556
local terms energy: -292.931092
where:
bonds (distance) C4'-P energy: -57.584
bonds (distance) P-C4' energy: -55.571
flat angles C4'-P-C4' energy: -68.314
flat angles P-C4'-P energy: -45.410
tors. eta vs tors. theta energy: -66.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -745.665692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.665692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.665692 (E_RNA)
where:
Base-Base interactions energy: -489.973
where: short stacking energy: -225.760
Base-Backbone interact. energy: -0.843
local terms energy: -254.850115
where:
bonds (distance) C4'-P energy: -54.536
bonds (distance) P-C4' energy: -47.342
flat angles C4'-P-C4' energy: -50.211
flat angles P-C4'-P energy: -43.327
tors. eta vs tors. theta energy: -59.434
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: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -623.238414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.238414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.238414 (E_RNA)
where:
Base-Base interactions energy: -390.146
where: short stacking energy: -177.223
Base-Backbone interact. energy: 2.816
local terms energy: -235.907716
where:
bonds (distance) C4'-P energy: -56.806
bonds (distance) P-C4' energy: -53.647
flat angles C4'-P-C4' energy: -61.201
flat angles P-C4'-P energy: -33.871
tors. eta vs tors. theta energy: -30.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -496.699966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.699966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.699966 (E_RNA)
where:
Base-Base interactions energy: -294.176
where: short stacking energy: -136.606
Base-Backbone interact. energy: -1.108
local terms energy: -201.415562
where:
bonds (distance) C4'-P energy: -41.432
bonds (distance) P-C4' energy: -61.534
flat angles C4'-P-C4' energy: -49.163
flat angles P-C4'-P energy: -39.371
tors. eta vs tors. theta energy: -9.916
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: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -271.750951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.750951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.750951 (E_RNA)
where:
Base-Base interactions energy: -88.243
where: short stacking energy: -82.809
Base-Backbone interact. energy: 0.751
local terms energy: -184.259629
where:
bonds (distance) C4'-P energy: -63.461
bonds (distance) P-C4' energy: -61.280
flat angles C4'-P-C4' energy: -51.637
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: 2.111
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: 5
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -325.567681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.567681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.567681 (E_RNA)
where:
Base-Base interactions energy: -146.906
where: short stacking energy: -97.177
Base-Backbone interact. energy: 0.627
local terms energy: -179.289025
where:
bonds (distance) C4'-P energy: -52.836
bonds (distance) P-C4' energy: -49.952
flat angles C4'-P-C4' energy: -46.751
flat angles P-C4'-P energy: -28.040
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1076.318003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.318003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.318003 (E_RNA)
where:
Base-Base interactions energy: -732.490
where: short stacking energy: -311.212
Base-Backbone interact. energy: -2.051
local terms energy: -341.777421
where:
bonds (distance) C4'-P energy: -64.238
bonds (distance) P-C4' energy: -67.873
flat angles C4'-P-C4' energy: -70.825
flat angles P-C4'-P energy: -48.683
tors. eta vs tors. theta energy: -90.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1035.659817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.659817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.659817 (E_RNA)
where:
Base-Base interactions energy: -718.050
where: short stacking energy: -313.643
Base-Backbone interact. energy: 4.567
local terms energy: -322.177098
where:
bonds (distance) C4'-P energy: -59.655
bonds (distance) P-C4' energy: -63.714
flat angles C4'-P-C4' energy: -72.568
flat angles P-C4'-P energy: -42.326
tors. eta vs tors. theta energy: -83.913
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: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -977.888697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.888697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.888697 (E_RNA)
where:
Base-Base interactions energy: -654.804
where: short stacking energy: -304.377
Base-Backbone interact. energy: 0.122
local terms energy: -323.464069
where:
bonds (distance) C4'-P energy: -66.402
bonds (distance) P-C4' energy: -58.505
flat angles C4'-P-C4' energy: -63.018
flat angles P-C4'-P energy: -49.852
tors. eta vs tors. theta energy: -85.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.257 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -835.223447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.223447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.223447 (E_RNA)
where:
Base-Base interactions energy: -549.221
where: short stacking energy: -235.143
Base-Backbone interact. energy: -0.747
local terms energy: -285.254888
where:
bonds (distance) C4'-P energy: -51.743
bonds (distance) P-C4' energy: -60.693
flat angles C4'-P-C4' energy: -70.426
flat angles P-C4'-P energy: -46.219
tors. eta vs tors. theta energy: -56.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -802.836714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.836714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.836714 (E_RNA)
where:
Base-Base interactions energy: -532.552
where: short stacking energy: -248.621
Base-Backbone interact. energy: -4.700
local terms energy: -265.584731
where:
bonds (distance) C4'-P energy: -60.351
bonds (distance) P-C4' energy: -55.910
flat angles C4'-P-C4' energy: -62.616
flat angles P-C4'-P energy: -30.308
tors. eta vs tors. theta energy: -56.400
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: 2
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -796.226888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.226888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.226888 (E_RNA)
where:
Base-Base interactions energy: -508.493
where: short stacking energy: -222.173
Base-Backbone interact. energy: -0.056
local terms energy: -287.678108
where:
bonds (distance) C4'-P energy: -61.770
bonds (distance) P-C4' energy: -68.557
flat angles C4'-P-C4' energy: -57.925
flat angles P-C4'-P energy: -35.955
tors. eta vs tors. theta energy: -63.472
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: 7, replica: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -510.920531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.920531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.920531 (E_RNA)
where:
Base-Base interactions energy: -282.541
where: short stacking energy: -142.873
Base-Backbone interact. energy: -1.138
local terms energy: -227.241637
where:
bonds (distance) C4'-P energy: -60.063
bonds (distance) P-C4' energy: -60.885
flat angles C4'-P-C4' energy: -48.696
flat angles P-C4'-P energy: -48.937
tors. eta vs tors. theta energy: -8.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -650.423931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.423931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.423931 (E_RNA)
where:
Base-Base interactions energy: -420.097
where: short stacking energy: -179.702
Base-Backbone interact. energy: -0.236
local terms energy: -230.090614
where:
bonds (distance) C4'-P energy: -32.515
bonds (distance) P-C4' energy: -61.912
flat angles C4'-P-C4' energy: -64.918
flat angles P-C4'-P energy: -36.501
tors. eta vs tors. theta energy: -34.243
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: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -335.764772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.764772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.764772 (E_RNA)
where:
Base-Base interactions energy: -136.095
where: short stacking energy: -89.366
Base-Backbone interact. energy: -1.710
local terms energy: -197.959386
where:
bonds (distance) C4'-P energy: -54.274
bonds (distance) P-C4' energy: -66.222
flat angles C4'-P-C4' energy: -49.475
flat angles P-C4'-P energy: -31.335
tors. eta vs tors. theta energy: 3.346
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: 10, replica: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -272.012810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.012810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.012810 (E_RNA)
where:
Base-Base interactions energy: -111.288
where: short stacking energy: -95.038
Base-Backbone interact. energy: -2.128
local terms energy: -158.596767
where:
bonds (distance) C4'-P energy: -52.436
bonds (distance) P-C4' energy: -50.731
flat angles C4'-P-C4' energy: -39.578
flat angles P-C4'-P energy: -24.101
tors. eta vs tors. theta energy: 8.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1059.495502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.495502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.495502 (E_RNA)
where:
Base-Base interactions energy: -721.829
where: short stacking energy: -298.026
Base-Backbone interact. energy: -3.643
local terms energy: -334.024169
where:
bonds (distance) C4'-P energy: -61.316
bonds (distance) P-C4' energy: -69.197
flat angles C4'-P-C4' energy: -70.811
flat angles P-C4'-P energy: -44.184
tors. eta vs tors. theta energy: -88.516
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: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -995.115727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.115727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.115727 (E_RNA)
where:
Base-Base interactions energy: -676.543
where: short stacking energy: -281.790
Base-Backbone interact. energy: 3.108
local terms energy: -321.680407
where:
bonds (distance) C4'-P energy: -69.071
bonds (distance) P-C4' energy: -68.935
flat angles C4'-P-C4' energy: -62.705
flat angles P-C4'-P energy: -44.210
tors. eta vs tors. theta energy: -76.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -957.546471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.546471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.546471 (E_RNA)
where:
Base-Base interactions energy: -657.496
where: short stacking energy: -302.065
Base-Backbone interact. energy: 0.450
local terms energy: -304.033329
where:
bonds (distance) C4'-P energy: -57.439
bonds (distance) P-C4' energy: -51.258
flat angles C4'-P-C4' energy: -67.136
flat angles P-C4'-P energy: -47.932
tors. eta vs tors. theta energy: -80.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.533 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -828.757840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.757840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.757840 (E_RNA)
where:
Base-Base interactions energy: -531.836
where: short stacking energy: -224.753
Base-Backbone interact. energy: -4.075
local terms energy: -292.846382
where:
bonds (distance) C4'-P energy: -60.692
bonds (distance) P-C4' energy: -61.069
flat angles C4'-P-C4' energy: -70.610
flat angles P-C4'-P energy: -40.777
tors. eta vs tors. theta energy: -59.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -790.555375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.555375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.555375 (E_RNA)
where:
Base-Base interactions energy: -516.892
where: short stacking energy: -238.637
Base-Backbone interact. energy: -0.178
local terms energy: -273.484440
where:
bonds (distance) C4'-P energy: -56.927
bonds (distance) P-C4' energy: -59.818
flat angles C4'-P-C4' energy: -63.750
flat angles P-C4'-P energy: -41.776
tors. eta vs tors. theta energy: -51.214
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: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -803.803525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.803525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.803525 (E_RNA)
where:
Base-Base interactions energy: -524.424
where: short stacking energy: -250.742
Base-Backbone interact. energy: -0.062
local terms energy: -279.317398
where:
bonds (distance) C4'-P energy: -59.616
bonds (distance) P-C4' energy: -64.901
flat angles C4'-P-C4' energy: -52.697
flat angles P-C4'-P energy: -36.063
tors. eta vs tors. theta energy: -66.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -565.238428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.238428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.238428 (E_RNA)
where:
Base-Base interactions energy: -345.966
where: short stacking energy: -172.496
Base-Backbone interact. energy: -1.331
local terms energy: -217.941455
where:
bonds (distance) C4'-P energy: -50.881
bonds (distance) P-C4' energy: -47.688
flat angles C4'-P-C4' energy: -55.852
flat angles P-C4'-P energy: -41.478
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: 8, replica: 9
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -665.435175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.435175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.435175 (E_RNA)
where:
Base-Base interactions energy: -430.610
where: short stacking energy: -188.748
Base-Backbone interact. energy: -1.515
local terms energy: -233.310679
where:
bonds (distance) C4'-P energy: -60.385
bonds (distance) P-C4' energy: -55.313
flat angles C4'-P-C4' energy: -46.826
flat angles P-C4'-P energy: -37.348
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: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -355.385373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.385373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.385373 (E_RNA)
where:
Base-Base interactions energy: -163.342
where: short stacking energy: -110.423
Base-Backbone interact. energy: -1.359
local terms energy: -190.684258
where:
bonds (distance) C4'-P energy: -48.115
bonds (distance) P-C4' energy: -52.895
flat angles C4'-P-C4' energy: -59.850
flat angles P-C4'-P energy: -26.898
tors. eta vs tors. theta energy: -2.928
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: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -295.689914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.689914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.689914 (E_RNA)
where:
Base-Base interactions energy: -105.125
where: short stacking energy: -101.247
Base-Backbone interact. energy: -1.126
local terms energy: -189.439468
where:
bonds (distance) C4'-P energy: -40.762
bonds (distance) P-C4' energy: -58.551
flat angles C4'-P-C4' energy: -54.615
flat angles P-C4'-P energy: -35.717
tors. eta vs tors. theta energy: 0.205
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: 1, replica: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1071.539550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.539550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.539550 (E_RNA)
where:
Base-Base interactions energy: -736.575
where: short stacking energy: -313.577
Base-Backbone interact. energy: -3.845
local terms energy: -331.119491
where:
bonds (distance) C4'-P energy: -60.716
bonds (distance) P-C4' energy: -66.479
flat angles C4'-P-C4' energy: -68.395
flat angles P-C4'-P energy: -50.964
tors. eta vs tors. theta energy: -84.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1021.908503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.908503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.908503 (E_RNA)
where:
Base-Base interactions energy: -682.652
where: short stacking energy: -298.618
Base-Backbone interact. energy: -2.772
local terms energy: -336.485073
where:
bonds (distance) C4'-P energy: -65.703
bonds (distance) P-C4' energy: -60.498
flat angles C4'-P-C4' energy: -72.399
flat angles P-C4'-P energy: -52.329
tors. eta vs tors. theta energy: -85.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -914.951593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.951593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.951593 (E_RNA)
where:
Base-Base interactions energy: -610.925
where: short stacking energy: -266.318
Base-Backbone interact. energy: -1.153
local terms energy: -302.873670
where:
bonds (distance) C4'-P energy: -57.546
bonds (distance) P-C4' energy: -60.416
flat angles C4'-P-C4' energy: -70.612
flat angles P-C4'-P energy: -45.252
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: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -888.554900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.554900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.554900 (E_RNA)
where:
Base-Base interactions energy: -593.440
where: short stacking energy: -244.072
Base-Backbone interact. energy: 0.148
local terms energy: -295.262819
where:
bonds (distance) C4'-P energy: -62.347
bonds (distance) P-C4' energy: -64.159
flat angles C4'-P-C4' energy: -69.555
flat angles P-C4'-P energy: -32.228
tors. eta vs tors. theta energy: -66.974
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: 5, replica: 2
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -808.202018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.202018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.202018 (E_RNA)
where:
Base-Base interactions energy: -518.039
where: short stacking energy: -228.349
Base-Backbone interact. energy: 1.030
local terms energy: -291.192906
where:
bonds (distance) C4'-P energy: -65.362
bonds (distance) P-C4' energy: -61.673
flat angles C4'-P-C4' energy: -62.917
flat angles P-C4'-P energy: -38.280
tors. eta vs tors. theta energy: -62.961
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: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -733.564947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.564947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.564947 (E_RNA)
where:
Base-Base interactions energy: -485.755
where: short stacking energy: -200.040
Base-Backbone interact. energy: -4.031
local terms energy: -243.779414
where:
bonds (distance) C4'-P energy: -50.803
bonds (distance) P-C4' energy: -53.638
flat angles C4'-P-C4' energy: -50.045
flat angles P-C4'-P energy: -47.534
tors. eta vs tors. theta energy: -41.759
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: 9
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -676.312090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.312090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.312090 (E_RNA)
where:
Base-Base interactions energy: -416.686
where: short stacking energy: -180.939
Base-Backbone interact. energy: 0.570
local terms energy: -260.196770
where:
bonds (distance) C4'-P energy: -59.544
bonds (distance) P-C4' energy: -64.872
flat angles C4'-P-C4' energy: -62.989
flat angles P-C4'-P energy: -29.141
tors. eta vs tors. theta energy: -43.650
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: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -539.447789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.447789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.447789 (E_RNA)
where:
Base-Base interactions energy: -330.063
where: short stacking energy: -143.226
Base-Backbone interact. energy: -0.557
local terms energy: -208.827846
where:
bonds (distance) C4'-P energy: -60.802
bonds (distance) P-C4' energy: -57.221
flat angles C4'-P-C4' energy: -56.049
flat angles P-C4'-P energy: -19.709
tors. eta vs tors. theta energy: -15.047
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: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -347.927561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.927561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.927561 (E_RNA)
where:
Base-Base interactions energy: -161.401
where: short stacking energy: -98.003
Base-Backbone interact. energy: -0.234
local terms energy: -186.291986
where:
bonds (distance) C4'-P energy: -50.828
bonds (distance) P-C4' energy: -56.797
flat angles C4'-P-C4' energy: -48.788
flat angles P-C4'-P energy: -24.166
tors. eta vs tors. theta energy: -5.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -273.251579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.251579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.251579 (E_RNA)
where:
Base-Base interactions energy: -109.713
where: short stacking energy: -97.315
Base-Backbone interact. energy: -0.664
local terms energy: -162.874276
where:
bonds (distance) C4'-P energy: -44.507
bonds (distance) P-C4' energy: -59.582
flat angles C4'-P-C4' energy: -48.940
flat angles P-C4'-P energy: -13.876
tors. eta vs tors. theta energy: 4.030
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: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1084.522707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.522707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.522707 (E_RNA)
where:
Base-Base interactions energy: -738.817
where: short stacking energy: -318.415
Base-Backbone interact. energy: -2.579
local terms energy: -343.127039
where:
bonds (distance) C4'-P energy: -74.105
bonds (distance) P-C4' energy: -67.920
flat angles C4'-P-C4' energy: -71.190
flat angles P-C4'-P energy: -48.936
tors. eta vs tors. theta energy: -80.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1030.814532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.814532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.814532 (E_RNA)
where:
Base-Base interactions energy: -698.039
where: short stacking energy: -303.637
Base-Backbone interact. energy: -3.077
local terms energy: -329.697861
where:
bonds (distance) C4'-P energy: -63.793
bonds (distance) P-C4' energy: -66.308
flat angles C4'-P-C4' energy: -69.221
flat angles P-C4'-P energy: -47.948
tors. eta vs tors. theta energy: -82.428
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: 3, replica: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -912.271656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.271656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.271656 (E_RNA)
where:
Base-Base interactions energy: -604.687
where: short stacking energy: -259.969
Base-Backbone interact. energy: -2.490
local terms energy: -305.094651
where:
bonds (distance) C4'-P energy: -62.372
bonds (distance) P-C4' energy: -63.759
flat angles C4'-P-C4' energy: -58.440
flat angles P-C4'-P energy: -45.604
tors. eta vs tors. theta energy: -74.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -858.923692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.923692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.923692 (E_RNA)
where:
Base-Base interactions energy: -582.499
where: short stacking energy: -241.456
Base-Backbone interact. energy: 0.917
local terms energy: -277.341594
where:
bonds (distance) C4'-P energy: -52.940
bonds (distance) P-C4' energy: -62.825
flat angles C4'-P-C4' energy: -57.204
flat angles P-C4'-P energy: -43.445
tors. eta vs tors. theta energy: -60.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -824.887508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.887508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.887508 (E_RNA)
where:
Base-Base interactions energy: -529.859
where: short stacking energy: -250.726
Base-Backbone interact. energy: -1.016
local terms energy: -294.012988
where:
bonds (distance) C4'-P energy: -61.584
bonds (distance) P-C4' energy: -68.640
flat angles C4'-P-C4' energy: -62.666
flat angles P-C4'-P energy: -37.501
tors. eta vs tors. theta energy: -63.622
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: 9
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -804.933232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.933232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.933232 (E_RNA)
where:
Base-Base interactions energy: -531.993
where: short stacking energy: -255.986
Base-Backbone interact. energy: 0.348
local terms energy: -273.288010
where:
bonds (distance) C4'-P energy: -41.292
bonds (distance) P-C4' energy: -45.515
flat angles C4'-P-C4' energy: -71.731
flat angles P-C4'-P energy: -50.052
tors. eta vs tors. theta energy: -64.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -727.613291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.613291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.613291 (E_RNA)
where:
Base-Base interactions energy: -479.485
where: short stacking energy: -215.502
Base-Backbone interact. energy: -1.513
local terms energy: -246.615428
where:
bonds (distance) C4'-P energy: -46.490
bonds (distance) P-C4' energy: -48.643
flat angles C4'-P-C4' energy: -66.538
flat angles P-C4'-P energy: -39.423
tors. eta vs tors. theta energy: -45.522
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: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -557.299388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.299388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.299388 (E_RNA)
where:
Base-Base interactions energy: -335.450
where: short stacking energy: -161.114
Base-Backbone interact. energy: 1.979
local terms energy: -223.828038
where:
bonds (distance) C4'-P energy: -49.326
bonds (distance) P-C4' energy: -61.455
flat angles C4'-P-C4' energy: -57.886
flat angles P-C4'-P energy: -21.493
tors. eta vs tors. theta energy: -33.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -355.450049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.450049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.450049 (E_RNA)
where:
Base-Base interactions energy: -171.501
where: short stacking energy: -114.030
Base-Backbone interact. energy: -0.747
local terms energy: -183.202450
where:
bonds (distance) C4'-P energy: -53.188
bonds (distance) P-C4' energy: -56.403
flat angles C4'-P-C4' energy: -53.953
flat angles P-C4'-P energy: -24.927
tors. eta vs tors. theta energy: 5.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -271.034731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.034731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.034731 (E_RNA)
where:
Base-Base interactions energy: -86.393
where: short stacking energy: -62.347
Base-Backbone interact. energy: -1.891
local terms energy: -182.750440
where:
bonds (distance) C4'-P energy: -62.629
bonds (distance) P-C4' energy: -66.898
flat angles C4'-P-C4' energy: -39.895
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: 9.616
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: 8
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1096.744601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.744601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.744601 (E_RNA)
where:
Base-Base interactions energy: -750.158
where: short stacking energy: -306.010
Base-Backbone interact. energy: -4.536
local terms energy: -342.050983
where:
bonds (distance) C4'-P energy: -59.328
bonds (distance) P-C4' energy: -69.828
flat angles C4'-P-C4' energy: -80.330
flat angles P-C4'-P energy: -45.374
tors. eta vs tors. theta energy: -87.191
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: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1020.448345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.448345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.448345 (E_RNA)
where:
Base-Base interactions energy: -685.564
where: short stacking energy: -294.760
Base-Backbone interact. energy: 1.210
local terms energy: -336.094568
where:
bonds (distance) C4'-P energy: -55.074
bonds (distance) P-C4' energy: -74.685
flat angles C4'-P-C4' energy: -75.355
flat angles P-C4'-P energy: -41.026
tors. eta vs tors. theta energy: -89.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -896.990119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.990119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.990119 (E_RNA)
where:
Base-Base interactions energy: -608.769
where: short stacking energy: -251.122
Base-Backbone interact. energy: -0.486
local terms energy: -287.735637
where:
bonds (distance) C4'-P energy: -47.857
bonds (distance) P-C4' energy: -64.464
flat angles C4'-P-C4' energy: -75.426
flat angles P-C4'-P energy: -38.360
tors. eta vs tors. theta energy: -61.629
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: 1
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -848.947115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.947115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.947115 (E_RNA)
where:
Base-Base interactions energy: -558.892
where: short stacking energy: -264.092
Base-Backbone interact. energy: -2.232
local terms energy: -287.823408
where:
bonds (distance) C4'-P energy: -60.937
bonds (distance) P-C4' energy: -53.410
flat angles C4'-P-C4' energy: -65.652
flat angles P-C4'-P energy: -49.365
tors. eta vs tors. theta energy: -58.460
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: 5, replica: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -886.788951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.788951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.788951 (E_RNA)
where:
Base-Base interactions energy: -606.693
where: short stacking energy: -235.644
Base-Backbone interact. energy: -1.652
local terms energy: -278.443465
where:
bonds (distance) C4'-P energy: -52.756
bonds (distance) P-C4' energy: -64.553
flat angles C4'-P-C4' energy: -60.607
flat angles P-C4'-P energy: -34.254
tors. eta vs tors. theta energy: -66.273
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: 2
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -742.559599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.559599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.559599 (E_RNA)
where:
Base-Base interactions energy: -481.274
where: short stacking energy: -217.542
Base-Backbone interact. energy: 1.631
local terms energy: -262.915897
where:
bonds (distance) C4'-P energy: -53.676
bonds (distance) P-C4' energy: -60.084
flat angles C4'-P-C4' energy: -60.058
flat angles P-C4'-P energy: -36.095
tors. eta vs tors. theta energy: -53.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -724.892976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.892976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.892976 (E_RNA)
where:
Base-Base interactions energy: -475.581
where: short stacking energy: -203.113
Base-Backbone interact. energy: -1.879
local terms energy: -247.432856
where:
bonds (distance) C4'-P energy: -56.543
bonds (distance) P-C4' energy: -57.687
flat angles C4'-P-C4' energy: -49.859
flat angles P-C4'-P energy: -33.290
tors. eta vs tors. theta energy: -50.053
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: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -582.976056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.976056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.976056 (E_RNA)
where:
Base-Base interactions energy: -332.452
where: short stacking energy: -168.374
Base-Backbone interact. energy: -2.025
local terms energy: -248.556937
where:
bonds (distance) C4'-P energy: -50.048
bonds (distance) P-C4' energy: -62.669
flat angles C4'-P-C4' energy: -62.363
flat angles P-C4'-P energy: -42.947
tors. eta vs tors. theta energy: -30.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.058 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -347.125322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.125322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.125322 (E_RNA)
where:
Base-Base interactions energy: -158.328
where: short stacking energy: -107.305
Base-Backbone interact. energy: -0.741
local terms energy: -188.057128
where:
bonds (distance) C4'-P energy: -49.521
bonds (distance) P-C4' energy: -57.593
flat angles C4'-P-C4' energy: -47.161
flat angles P-C4'-P energy: -36.087
tors. eta vs tors. theta energy: 2.305
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: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -278.449089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.449089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.449089 (E_RNA)
where:
Base-Base interactions energy: -113.026
where: short stacking energy: -72.054
Base-Backbone interact. energy: -1.125
local terms energy: -164.297223
where:
bonds (distance) C4'-P energy: -55.833
bonds (distance) P-C4' energy: -50.260
flat angles C4'-P-C4' energy: -42.491
flat angles P-C4'-P energy: -20.865
tors. eta vs tors. theta energy: 5.152
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: 1, replica: 8
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1084.977598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.977598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.977598 (E_RNA)
where:
Base-Base interactions energy: -738.724
where: short stacking energy: -308.023
Base-Backbone interact. energy: -1.184
local terms energy: -345.070183
where:
bonds (distance) C4'-P energy: -68.493
bonds (distance) P-C4' energy: -66.608
flat angles C4'-P-C4' energy: -73.646
flat angles P-C4'-P energy: -55.478
tors. eta vs tors. theta energy: -80.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1012.757926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.757926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.757926 (E_RNA)
where:
Base-Base interactions energy: -682.575
where: short stacking energy: -290.016
Base-Backbone interact. energy: -2.714
local terms energy: -327.468988
where:
bonds (distance) C4'-P energy: -62.851
bonds (distance) P-C4' energy: -73.224
flat angles C4'-P-C4' energy: -70.503
flat angles P-C4'-P energy: -40.360
tors. eta vs tors. theta energy: -80.531
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: 3, replica: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -919.944705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.944705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.944705 (E_RNA)
where:
Base-Base interactions energy: -600.129
where: short stacking energy: -281.860
Base-Backbone interact. energy: 0.087
local terms energy: -319.902412
where:
bonds (distance) C4'-P energy: -64.285
bonds (distance) P-C4' energy: -62.102
flat angles C4'-P-C4' energy: -72.929
flat angles P-C4'-P energy: -46.153
tors. eta vs tors. theta energy: -74.434
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: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -908.393218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.393218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.393218 (E_RNA)
where:
Base-Base interactions energy: -611.523
where: short stacking energy: -257.914
Base-Backbone interact. energy: -1.024
local terms energy: -295.846289
where:
bonds (distance) C4'-P energy: -49.535
bonds (distance) P-C4' energy: -64.117
flat angles C4'-P-C4' energy: -66.784
flat angles P-C4'-P energy: -47.521
tors. eta vs tors. theta energy: -67.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -871.897952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.897952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.897952 (E_RNA)
where:
Base-Base interactions energy: -571.350
where: short stacking energy: -251.144
Base-Backbone interact. energy: -0.169
local terms energy: -300.378980
where:
bonds (distance) C4'-P energy: -55.873
bonds (distance) P-C4' energy: -62.163
flat angles C4'-P-C4' energy: -65.636
flat angles P-C4'-P energy: -46.335
tors. eta vs tors. theta energy: -70.372
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: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -730.368530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.368530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.368530 (E_RNA)
where:
Base-Base interactions energy: -491.712
where: short stacking energy: -208.488
Base-Backbone interact. energy: -0.024
local terms energy: -238.633222
where:
bonds (distance) C4'-P energy: -57.289
bonds (distance) P-C4' energy: -51.159
flat angles C4'-P-C4' energy: -55.202
flat angles P-C4'-P energy: -35.586
tors. eta vs tors. theta energy: -39.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -711.302909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.302909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.302909 (E_RNA)
where:
Base-Base interactions energy: -447.218
where: short stacking energy: -194.844
Base-Backbone interact. energy: 0.171
local terms energy: -264.255815
where:
bonds (distance) C4'-P energy: -60.159
bonds (distance) P-C4' energy: -69.364
flat angles C4'-P-C4' energy: -57.682
flat angles P-C4'-P energy: -31.539
tors. eta vs tors. theta energy: -45.511
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: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -588.215610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.215610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.215610 (E_RNA)
where:
Base-Base interactions energy: -350.779
where: short stacking energy: -174.894
Base-Backbone interact. energy: -1.035
local terms energy: -236.987410
where:
bonds (distance) C4'-P energy: -52.517
bonds (distance) P-C4' energy: -58.077
flat angles C4'-P-C4' energy: -52.396
flat angles P-C4'-P energy: -40.621
tors. eta vs tors. theta energy: -33.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.586 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -356.909961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.909961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.909961 (E_RNA)
where:
Base-Base interactions energy: -159.245
where: short stacking energy: -110.327
Base-Backbone interact. energy: 0.125
local terms energy: -197.790474
where:
bonds (distance) C4'-P energy: -59.234
bonds (distance) P-C4' energy: -49.297
flat angles C4'-P-C4' energy: -51.275
flat angles P-C4'-P energy: -33.519
tors. eta vs tors. theta energy: -4.467
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: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -256.660339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.660339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.660339 (E_RNA)
where:
Base-Base interactions energy: -92.177
where: short stacking energy: -80.844
Base-Backbone interact. energy: 1.121
local terms energy: -165.603769
where:
bonds (distance) C4'-P energy: -37.320
bonds (distance) P-C4' energy: -47.849
flat angles C4'-P-C4' energy: -46.823
flat angles P-C4'-P energy: -37.840
tors. eta vs tors. theta energy: 4.229
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: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1091.612446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.612446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.612446 (E_RNA)
where:
Base-Base interactions energy: -741.340
where: short stacking energy: -324.781
Base-Backbone interact. energy: -2.592
local terms energy: -347.680408
where:
bonds (distance) C4'-P energy: -69.303
bonds (distance) P-C4' energy: -64.321
flat angles C4'-P-C4' energy: -73.470
flat angles P-C4'-P energy: -50.723
tors. eta vs tors. theta energy: -89.864
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: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1030.839616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.839616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.839616 (E_RNA)
where:
Base-Base interactions energy: -690.155
where: short stacking energy: -310.149
Base-Backbone interact. energy: -0.987
local terms energy: -339.698233
where:
bonds (distance) C4'-P energy: -60.557
bonds (distance) P-C4' energy: -69.122
flat angles C4'-P-C4' energy: -75.053
flat angles P-C4'-P energy: -51.689
tors. eta vs tors. theta energy: -83.276
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: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -943.035356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.035356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.035356 (E_RNA)
where:
Base-Base interactions energy: -615.488
where: short stacking energy: -247.705
Base-Backbone interact. energy: -1.889
local terms energy: -325.658479
where:
bonds (distance) C4'-P energy: -65.741
bonds (distance) P-C4' energy: -72.923
flat angles C4'-P-C4' energy: -63.678
flat angles P-C4'-P energy: -51.663
tors. eta vs tors. theta energy: -71.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -888.017744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.017744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.017744 (E_RNA)
where:
Base-Base interactions energy: -582.497
where: short stacking energy: -254.911
Base-Backbone interact. energy: -1.001
local terms energy: -304.520382
where:
bonds (distance) C4'-P energy: -62.716
bonds (distance) P-C4' energy: -61.105
flat angles C4'-P-C4' energy: -63.573
flat angles P-C4'-P energy: -49.069
tors. eta vs tors. theta energy: -68.057
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: 1
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -839.384275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.384275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.384275 (E_RNA)
where:
Base-Base interactions energy: -574.560
where: short stacking energy: -225.351
Base-Backbone interact. energy: -0.649
local terms energy: -264.175010
where:
bonds (distance) C4'-P energy: -54.660
bonds (distance) P-C4' energy: -52.325
flat angles C4'-P-C4' energy: -62.637
flat angles P-C4'-P energy: -36.532
tors. eta vs tors. theta energy: -58.020
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: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -720.138808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.138808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.138808 (E_RNA)
where:
Base-Base interactions energy: -492.218
where: short stacking energy: -204.642
Base-Backbone interact. energy: -0.871
local terms energy: -227.049021
where:
bonds (distance) C4'-P energy: -52.940
bonds (distance) P-C4' energy: -52.697
flat angles C4'-P-C4' energy: -53.507
flat angles P-C4'-P energy: -36.240
tors. eta vs tors. theta energy: -31.666
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: 7, replica: 2
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -698.749451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.749451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.749451 (E_RNA)
where:
Base-Base interactions energy: -440.387
where: short stacking energy: -201.123
Base-Backbone interact. energy: -1.694
local terms energy: -256.667964
where:
bonds (distance) C4'-P energy: -47.783
bonds (distance) P-C4' energy: -61.533
flat angles C4'-P-C4' energy: -62.405
flat angles P-C4'-P energy: -39.348
tors. eta vs tors. theta energy: -45.599
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: 8, replica: 6
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -569.945231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.945231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.945231 (E_RNA)
where:
Base-Base interactions energy: -340.282
where: short stacking energy: -154.136
Base-Backbone interact. energy: -0.411
local terms energy: -229.251445
where:
bonds (distance) C4'-P energy: -58.107
bonds (distance) P-C4' energy: -62.784
flat angles C4'-P-C4' energy: -41.134
flat angles P-C4'-P energy: -39.111
tors. eta vs tors. theta energy: -28.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -406.258967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.258967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.258967 (E_RNA)
where:
Base-Base interactions energy: -223.924
where: short stacking energy: -116.004
Base-Backbone interact. energy: -0.033
local terms energy: -182.302346
where:
bonds (distance) C4'-P energy: -53.641
bonds (distance) P-C4' energy: -53.867
flat angles C4'-P-C4' energy: -33.689
flat angles P-C4'-P energy: -30.074
tors. eta vs tors. theta energy: -11.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -274.191057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.191057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.191057 (E_RNA)
where:
Base-Base interactions energy: -97.200
where: short stacking energy: -86.112
Base-Backbone interact. energy: 1.259
local terms energy: -178.249856
where:
bonds (distance) C4'-P energy: -45.355
bonds (distance) P-C4' energy: -63.017
flat angles C4'-P-C4' energy: -44.788
flat angles P-C4'-P energy: -28.697
tors. eta vs tors. theta energy: 3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1104.292385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.292385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.292385 (E_RNA)
where:
Base-Base interactions energy: -759.052
where: short stacking energy: -319.522
Base-Backbone interact. energy: -4.617
local terms energy: -340.623329
where:
bonds (distance) C4'-P energy: -66.636
bonds (distance) P-C4' energy: -63.166
flat angles C4'-P-C4' energy: -66.552
flat angles P-C4'-P energy: -52.645
tors. eta vs tors. theta energy: -91.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1029.917276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.917276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.917276 (E_RNA)
where:
Base-Base interactions energy: -698.468
where: short stacking energy: -300.588
Base-Backbone interact. energy: -4.080
local terms energy: -327.369711
where:
bonds (distance) C4'-P energy: -53.066
bonds (distance) P-C4' energy: -66.787
flat angles C4'-P-C4' energy: -70.839
flat angles P-C4'-P energy: -50.467
tors. eta vs tors. theta energy: -86.210
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: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -960.456706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.456706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.456706 (E_RNA)
where:
Base-Base interactions energy: -636.534
where: short stacking energy: -266.942
Base-Backbone interact. energy: -1.770
local terms energy: -322.152394
where:
bonds (distance) C4'-P energy: -60.490
bonds (distance) P-C4' energy: -65.362
flat angles C4'-P-C4' energy: -70.561
flat angles P-C4'-P energy: -47.222
tors. eta vs tors. theta energy: -78.517
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: 4, replica: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -865.075981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.075981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.075981 (E_RNA)
where:
Base-Base interactions energy: -583.770
where: short stacking energy: -253.849
Base-Backbone interact. energy: -0.419
local terms energy: -280.887117
where:
bonds (distance) C4'-P energy: -61.631
bonds (distance) P-C4' energy: -61.752
flat angles C4'-P-C4' energy: -63.449
flat angles P-C4'-P energy: -33.430
tors. eta vs tors. theta energy: -60.624
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: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -854.078296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.078296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.078296 (E_RNA)
where:
Base-Base interactions energy: -561.637
where: short stacking energy: -250.168
Base-Backbone interact. energy: -0.475
local terms energy: -291.965552
where:
bonds (distance) C4'-P energy: -58.060
bonds (distance) P-C4' energy: -54.452
flat angles C4'-P-C4' energy: -72.617
flat angles P-C4'-P energy: -37.184
tors. eta vs tors. theta energy: -69.653
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: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -701.681064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.681064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.681064 (E_RNA)
where:
Base-Base interactions energy: -475.568
where: short stacking energy: -220.212
Base-Backbone interact. energy: 5.356
local terms energy: -231.469601
where:
bonds (distance) C4'-P energy: -45.719
bonds (distance) P-C4' energy: -62.640
flat angles C4'-P-C4' energy: -55.026
flat angles P-C4'-P energy: -30.367
tors. eta vs tors. theta energy: -37.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -717.174314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.174314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.174314 (E_RNA)
where:
Base-Base interactions energy: -440.569
where: short stacking energy: -217.668
Base-Backbone interact. energy: 1.258
local terms energy: -277.862686
where:
bonds (distance) C4'-P energy: -54.389
bonds (distance) P-C4' energy: -61.086
flat angles C4'-P-C4' energy: -65.066
flat angles P-C4'-P energy: -33.067
tors. eta vs tors. theta energy: -64.256
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: 8, replica: 6
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -553.078244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.078244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.078244 (E_RNA)
where:
Base-Base interactions energy: -341.876
where: short stacking energy: -162.262
Base-Backbone interact. energy: 1.624
local terms energy: -212.826337
where:
bonds (distance) C4'-P energy: -54.024
bonds (distance) P-C4' energy: -38.207
flat angles C4'-P-C4' energy: -58.538
flat angles P-C4'-P energy: -35.931
tors. eta vs tors. theta energy: -26.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -372.879580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.879580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.879580 (E_RNA)
where:
Base-Base interactions energy: -182.445
where: short stacking energy: -106.780
Base-Backbone interact. energy: 0.909
local terms energy: -191.343409
where:
bonds (distance) C4'-P energy: -49.734
bonds (distance) P-C4' energy: -58.523
flat angles C4'-P-C4' energy: -51.957
flat angles P-C4'-P energy: -27.957
tors. eta vs tors. theta energy: -3.172
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: 3
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -271.165037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.165037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.165037 (E_RNA)
where:
Base-Base interactions energy: -106.945
where: short stacking energy: -75.935
Base-Backbone interact. energy: 0.263
local terms energy: -164.482869
where:
bonds (distance) C4'-P energy: -50.758
bonds (distance) P-C4' energy: -56.531
flat angles C4'-P-C4' energy: -25.559
flat angles P-C4'-P energy: -39.942
tors. eta vs tors. theta energy: 8.307
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: 1, replica: 8
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1076.999038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.999038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.999038 (E_RNA)
where:
Base-Base interactions energy: -751.766
where: short stacking energy: -334.452
Base-Backbone interact. energy: -4.257
local terms energy: -320.975855
where:
bonds (distance) C4'-P energy: -53.027
bonds (distance) P-C4' energy: -50.610
flat angles C4'-P-C4' energy: -73.073
flat angles P-C4'-P energy: -49.964
tors. eta vs tors. theta energy: -94.302
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: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -995.981694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.981694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.981694 (E_RNA)
where:
Base-Base interactions energy: -653.726
where: short stacking energy: -272.903
Base-Backbone interact. energy: -3.956
local terms energy: -338.299376
where:
bonds (distance) C4'-P energy: -68.391
bonds (distance) P-C4' energy: -69.253
flat angles C4'-P-C4' energy: -68.897
flat angles P-C4'-P energy: -48.249
tors. eta vs tors. theta energy: -83.508
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: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -939.362978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.362978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.362978 (E_RNA)
where:
Base-Base interactions energy: -648.147
where: short stacking energy: -268.416
Base-Backbone interact. energy: 0.038
local terms energy: -291.254608
where:
bonds (distance) C4'-P energy: -59.650
bonds (distance) P-C4' energy: -59.484
flat angles C4'-P-C4' energy: -59.545
flat angles P-C4'-P energy: -46.059
tors. eta vs tors. theta energy: -66.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -862.132688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.132688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.132688 (E_RNA)
where:
Base-Base interactions energy: -564.714
where: short stacking energy: -239.574
Base-Backbone interact. energy: -2.023
local terms energy: -295.395311
where:
bonds (distance) C4'-P energy: -60.578
bonds (distance) P-C4' energy: -64.669
flat angles C4'-P-C4' energy: -58.771
flat angles P-C4'-P energy: -52.179
tors. eta vs tors. theta energy: -59.199
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: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -834.114501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.114501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.114501 (E_RNA)
where:
Base-Base interactions energy: -544.391
where: short stacking energy: -249.928
Base-Backbone interact. energy: -1.935
local terms energy: -287.788514
where:
bonds (distance) C4'-P energy: -51.613
bonds (distance) P-C4' energy: -62.503
flat angles C4'-P-C4' energy: -72.507
flat angles P-C4'-P energy: -35.222
tors. eta vs tors. theta energy: -65.944
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: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -737.101307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.101307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.101307 (E_RNA)
where:
Base-Base interactions energy: -472.366
where: short stacking energy: -217.787
Base-Backbone interact. energy: -2.195
local terms energy: -262.539997
where:
bonds (distance) C4'-P energy: -64.929
bonds (distance) P-C4' energy: -62.182
flat angles C4'-P-C4' energy: -49.798
flat angles P-C4'-P energy: -34.917
tors. eta vs tors. theta energy: -50.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -688.970762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.970762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.970762 (E_RNA)
where:
Base-Base interactions energy: -437.213
where: short stacking energy: -214.329
Base-Backbone interact. energy: 0.098
local terms energy: -251.855638
where:
bonds (distance) C4'-P energy: -44.438
bonds (distance) P-C4' energy: -66.646
flat angles C4'-P-C4' energy: -56.773
flat angles P-C4'-P energy: -38.685
tors. eta vs tors. theta energy: -45.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -543.376013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.376013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.376013 (E_RNA)
where:
Base-Base interactions energy: -333.402
where: short stacking energy: -156.504
Base-Backbone interact. energy: -1.995
local terms energy: -207.979217
where:
bonds (distance) C4'-P energy: -53.740
bonds (distance) P-C4' energy: -50.388
flat angles C4'-P-C4' energy: -53.143
flat angles P-C4'-P energy: -24.883
tors. eta vs tors. theta energy: -25.825
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: 5
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -366.562110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.562110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.562110 (E_RNA)
where:
Base-Base interactions energy: -163.024
where: short stacking energy: -93.730
Base-Backbone interact. energy: -1.177
local terms energy: -202.360820
where:
bonds (distance) C4'-P energy: -57.093
bonds (distance) P-C4' energy: -57.246
flat angles C4'-P-C4' energy: -50.601
flat angles P-C4'-P energy: -29.396
tors. eta vs tors. theta energy: -8.025
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: 10, replica: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -288.807113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.807113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.807113 (E_RNA)
where:
Base-Base interactions energy: -91.196
where: short stacking energy: -61.599
Base-Backbone interact. energy: -0.836
local terms energy: -198.673032
where:
bonds (distance) C4'-P energy: -60.593
bonds (distance) P-C4' energy: -62.153
flat angles C4'-P-C4' energy: -50.825
flat angles P-C4'-P energy: -29.758
tors. eta vs tors. theta energy: 4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.898 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1080.954571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.954571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.954571 (E_RNA)
where:
Base-Base interactions energy: -740.674
where: short stacking energy: -316.352
Base-Backbone interact. energy: -0.846
local terms energy: -339.434602
where:
bonds (distance) C4'-P energy: -63.730
bonds (distance) P-C4' energy: -59.908
flat angles C4'-P-C4' energy: -80.332
flat angles P-C4'-P energy: -47.675
tors. eta vs tors. theta energy: -87.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1030.623963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.623963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.623963 (E_RNA)
where:
Base-Base interactions energy: -684.007
where: short stacking energy: -301.283
Base-Backbone interact. energy: -2.081
local terms energy: -344.535467
where:
bonds (distance) C4'-P energy: -70.420
bonds (distance) P-C4' energy: -73.419
flat angles C4'-P-C4' energy: -72.951
flat angles P-C4'-P energy: -49.860
tors. eta vs tors. theta energy: -77.884
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: 255
Temperature: 1.000000
Total energy: -961.039654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.039654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.039654 (E_RNA)
where:
Base-Base interactions energy: -647.056
where: short stacking energy: -283.672
Base-Backbone interact. energy: -1.482
local terms energy: -312.501468
where:
bonds (distance) C4'-P energy: -66.776
bonds (distance) P-C4' energy: -64.773
flat angles C4'-P-C4' energy: -65.617
flat angles P-C4'-P energy: -33.810
tors. eta vs tors. theta energy: -81.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -881.561759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.561759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.561759 (E_RNA)
where:
Base-Base interactions energy: -587.809
where: short stacking energy: -240.738
Base-Backbone interact. energy: -3.076
local terms energy: -290.677065
where:
bonds (distance) C4'-P energy: -53.534
bonds (distance) P-C4' energy: -68.665
flat angles C4'-P-C4' energy: -61.808
flat angles P-C4'-P energy: -39.663
tors. eta vs tors. theta energy: -67.008
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: 5, replica: 10
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -833.335437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.335437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.335437 (E_RNA)
where:
Base-Base interactions energy: -542.134
where: short stacking energy: -248.097
Base-Backbone interact. energy: -0.227
local terms energy: -290.975215
where:
bonds (distance) C4'-P energy: -63.823
bonds (distance) P-C4' energy: -58.362
flat angles C4'-P-C4' energy: -59.053
flat angles P-C4'-P energy: -44.619
tors. eta vs tors. theta energy: -65.118
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: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -718.463074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.463074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.463074 (E_RNA)
where:
Base-Base interactions energy: -462.592
where: short stacking energy: -166.038
Base-Backbone interact. energy: -0.998
local terms energy: -254.873144
where:
bonds (distance) C4'-P energy: -59.695
bonds (distance) P-C4' energy: -55.127
flat angles C4'-P-C4' energy: -68.873
flat angles P-C4'-P energy: -35.378
tors. eta vs tors. theta energy: -35.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -699.307888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.307888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.307888 (E_RNA)
where:
Base-Base interactions energy: -435.197
where: short stacking energy: -199.030
Base-Backbone interact. energy: -0.957
local terms energy: -263.153468
where:
bonds (distance) C4'-P energy: -55.850
bonds (distance) P-C4' energy: -73.097
flat angles C4'-P-C4' energy: -56.606
flat angles P-C4'-P energy: -28.421
tors. eta vs tors. theta energy: -49.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -574.263764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.263764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.263764 (E_RNA)
where:
Base-Base interactions energy: -340.742
where: short stacking energy: -152.013
Base-Backbone interact. energy: -1.726
local terms energy: -231.795628
where:
bonds (distance) C4'-P energy: -57.299
bonds (distance) P-C4' energy: -58.781
flat angles C4'-P-C4' energy: -51.287
flat angles P-C4'-P energy: -37.979
tors. eta vs tors. theta energy: -26.449
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: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -342.024374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.024374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.024374 (E_RNA)
where:
Base-Base interactions energy: -171.541
where: short stacking energy: -93.492
Base-Backbone interact. energy: -1.089
local terms energy: -169.394451
where:
bonds (distance) C4'-P energy: -48.033
bonds (distance) P-C4' energy: -54.665
flat angles C4'-P-C4' energy: -42.802
flat angles P-C4'-P energy: -26.300
tors. eta vs tors. theta energy: 2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -269.003221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.003221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.003221 (E_RNA)
where:
Base-Base interactions energy: -109.914
where: short stacking energy: -85.951
Base-Backbone interact. energy: -2.451
local terms energy: -156.638737
where:
bonds (distance) C4'-P energy: -39.482
bonds (distance) P-C4' energy: -59.803
flat angles C4'-P-C4' energy: -25.984
flat angles P-C4'-P energy: -31.997
tors. eta vs tors. theta energy: 0.628
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: 1, replica: 8
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1085.794657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.794657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.794657 (E_RNA)
where:
Base-Base interactions energy: -750.793
where: short stacking energy: -309.158
Base-Backbone interact. energy: -4.376
local terms energy: -330.794989
where:
bonds (distance) C4'-P energy: -59.493
bonds (distance) P-C4' energy: -67.285
flat angles C4'-P-C4' energy: -71.204
flat angles P-C4'-P energy: -43.871
tors. eta vs tors. theta energy: -88.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.170 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1036.129945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.129945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.129945 (E_RNA)
where:
Base-Base interactions energy: -687.774
where: short stacking energy: -314.635
Base-Backbone interact. energy: -1.752
local terms energy: -346.603912
where:
bonds (distance) C4'-P energy: -64.048
bonds (distance) P-C4' energy: -65.585
flat angles C4'-P-C4' energy: -70.786
flat angles P-C4'-P energy: -52.152
tors. eta vs tors. theta energy: -94.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -928.680459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.680459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.680459 (E_RNA)
where:
Base-Base interactions energy: -622.116
where: short stacking energy: -256.068
Base-Backbone interact. energy: -2.304
local terms energy: -304.261268
where:
bonds (distance) C4'-P energy: -65.008
bonds (distance) P-C4' energy: -60.525
flat angles C4'-P-C4' energy: -63.438
flat angles P-C4'-P energy: -41.511
tors. eta vs tors. theta energy: -73.779
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: 4, replica: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -881.405797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.405797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.405797 (E_RNA)
where:
Base-Base interactions energy: -583.848
where: short stacking energy: -245.375
Base-Backbone interact. energy: -0.990
local terms energy: -296.567901
where:
bonds (distance) C4'-P energy: -50.974
bonds (distance) P-C4' energy: -55.720
flat angles C4'-P-C4' energy: -67.983
flat angles P-C4'-P energy: -49.847
tors. eta vs tors. theta energy: -72.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -870.572910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.572910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.572910 (E_RNA)
where:
Base-Base interactions energy: -559.309
where: short stacking energy: -249.422
Base-Backbone interact. energy: -0.713
local terms energy: -311.116625
where:
bonds (distance) C4'-P energy: -53.156
bonds (distance) P-C4' energy: -68.500
flat angles C4'-P-C4' energy: -69.023
flat angles P-C4'-P energy: -46.796
tors. eta vs tors. theta energy: -73.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.566 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -717.938134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.938134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.938134 (E_RNA)
where:
Base-Base interactions energy: -443.746
where: short stacking energy: -187.708
Base-Backbone interact. energy: -1.039
local terms energy: -273.152949
where:
bonds (distance) C4'-P energy: -64.965
bonds (distance) P-C4' energy: -60.419
flat angles C4'-P-C4' energy: -60.950
flat angles P-C4'-P energy: -48.578
tors. eta vs tors. theta energy: -38.241
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: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -687.101014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.101014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.101014 (E_RNA)
where:
Base-Base interactions energy: -420.323
where: short stacking energy: -197.521
Base-Backbone interact. energy: -1.535
local terms energy: -265.243734
where:
bonds (distance) C4'-P energy: -59.755
bonds (distance) P-C4' energy: -60.474
flat angles C4'-P-C4' energy: -57.835
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -50.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -554.547253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.547253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.547253 (E_RNA)
where:
Base-Base interactions energy: -318.183
where: short stacking energy: -162.071
Base-Backbone interact. energy: -3.255
local terms energy: -233.109493
where:
bonds (distance) C4'-P energy: -38.964
bonds (distance) P-C4' energy: -61.354
flat angles C4'-P-C4' energy: -49.841
flat angles P-C4'-P energy: -46.484
tors. eta vs tors. theta energy: -36.468
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: 9, replica: 5
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -335.784320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.784320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.784320 (E_RNA)
where:
Base-Base interactions energy: -149.470
where: short stacking energy: -98.646
Base-Backbone interact. energy: 2.102
local terms energy: -188.525713
where:
bonds (distance) C4'-P energy: -51.628
bonds (distance) P-C4' energy: -53.074
flat angles C4'-P-C4' energy: -56.323
flat angles P-C4'-P energy: -32.016
tors. eta vs tors. theta energy: 4.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.109 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -250.820893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.820893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.820893 (E_RNA)
where:
Base-Base interactions energy: -100.119
where: short stacking energy: -72.663
Base-Backbone interact. energy: -1.738
local terms energy: -148.963223
where:
bonds (distance) C4'-P energy: -49.062
bonds (distance) P-C4' energy: -54.315
flat angles C4'-P-C4' energy: -41.208
flat angles P-C4'-P energy: -24.210
tors. eta vs tors. theta energy: 19.832
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: 8
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1040.455602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.455602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.455602 (E_RNA)
where:
Base-Base interactions energy: -723.206
where: short stacking energy: -289.325
Base-Backbone interact. energy: -2.212
local terms energy: -315.037241
where:
bonds (distance) C4'-P energy: -64.008
bonds (distance) P-C4' energy: -66.970
flat angles C4'-P-C4' energy: -68.972
flat angles P-C4'-P energy: -41.459
tors. eta vs tors. theta energy: -73.628
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: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1047.201901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.201901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.201901 (E_RNA)
where:
Base-Base interactions energy: -727.577
where: short stacking energy: -307.128
Base-Backbone interact. energy: -1.960
local terms energy: -317.664523
where:
bonds (distance) C4'-P energy: -60.552
bonds (distance) P-C4' energy: -61.877
flat angles C4'-P-C4' energy: -67.674
flat angles P-C4'-P energy: -44.177
tors. eta vs tors. theta energy: -83.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -955.403073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.403073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.403073 (E_RNA)
where:
Base-Base interactions energy: -643.192
where: short stacking energy: -267.854
Base-Backbone interact. energy: -1.957
local terms energy: -310.254752
where:
bonds (distance) C4'-P energy: -60.878
bonds (distance) P-C4' energy: -55.123
flat angles C4'-P-C4' energy: -70.766
flat angles P-C4'-P energy: -49.809
tors. eta vs tors. theta energy: -73.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -880.247161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.247161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.247161 (E_RNA)
where:
Base-Base interactions energy: -588.373
where: short stacking energy: -233.072
Base-Backbone interact. energy: -0.613
local terms energy: -291.261389
where:
bonds (distance) C4'-P energy: -64.984
bonds (distance) P-C4' energy: -63.224
flat angles C4'-P-C4' energy: -67.837
flat angles P-C4'-P energy: -33.731
tors. eta vs tors. theta energy: -61.485
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: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -853.058135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.058135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.058135 (E_RNA)
where:
Base-Base interactions energy: -568.894
where: short stacking energy: -268.188
Base-Backbone interact. energy: -1.183
local terms energy: -283.927396
where:
bonds (distance) C4'-P energy: -42.236
bonds (distance) P-C4' energy: -50.650
flat angles C4'-P-C4' energy: -63.027
flat angles P-C4'-P energy: -47.407
tors. eta vs tors. theta energy: -80.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.946 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -691.966719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.966719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.966719 (E_RNA)
where:
Base-Base interactions energy: -463.872
where: short stacking energy: -183.921
Base-Backbone interact. energy: -1.229
local terms energy: -226.865806
where:
bonds (distance) C4'-P energy: -45.749
bonds (distance) P-C4' energy: -54.429
flat angles C4'-P-C4' energy: -55.653
flat angles P-C4'-P energy: -35.931
tors. eta vs tors. theta energy: -35.103
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: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -697.059736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.059736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.059736 (E_RNA)
where:
Base-Base interactions energy: -447.607
where: short stacking energy: -203.758
Base-Backbone interact. energy: 3.851
local terms energy: -253.303768
where:
bonds (distance) C4'-P energy: -56.042
bonds (distance) P-C4' energy: -52.273
flat angles C4'-P-C4' energy: -63.128
flat angles P-C4'-P energy: -35.436
tors. eta vs tors. theta energy: -46.424
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: 8, replica: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -546.274469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.274469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.274469 (E_RNA)
where:
Base-Base interactions energy: -315.674
where: short stacking energy: -161.413
Base-Backbone interact. energy: -1.182
local terms energy: -229.418577
where:
bonds (distance) C4'-P energy: -56.132
bonds (distance) P-C4' energy: -52.974
flat angles C4'-P-C4' energy: -46.005
flat angles P-C4'-P energy: -43.357
tors. eta vs tors. theta energy: -30.950
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: 9, replica: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -344.398345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.398345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.398345 (E_RNA)
where:
Base-Base interactions energy: -160.345
where: short stacking energy: -116.327
Base-Backbone interact. energy: 3.152
local terms energy: -187.205621
where:
bonds (distance) C4'-P energy: -48.953
bonds (distance) P-C4' energy: -63.188
flat angles C4'-P-C4' energy: -41.912
flat angles P-C4'-P energy: -37.515
tors. eta vs tors. theta energy: 4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -274.369544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.369544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.369544 (E_RNA)
where:
Base-Base interactions energy: -97.942
where: short stacking energy: -71.400
Base-Backbone interact. energy: 2.169
local terms energy: -178.595890
where:
bonds (distance) C4'-P energy: -52.533
bonds (distance) P-C4' energy: -58.336
flat angles C4'-P-C4' energy: -41.942
flat angles P-C4'-P energy: -35.084
tors. eta vs tors. theta energy: 9.298
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: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1081.449564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.449564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.449564 (E_RNA)
where:
Base-Base interactions energy: -737.970
where: short stacking energy: -317.559
Base-Backbone interact. energy: -1.309
local terms energy: -342.169832
where:
bonds (distance) C4'-P energy: -63.140
bonds (distance) P-C4' energy: -64.003
flat angles C4'-P-C4' energy: -71.607
flat angles P-C4'-P energy: -52.029
tors. eta vs tors. theta energy: -91.391
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: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1034.382968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.382968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.382968 (E_RNA)
where:
Base-Base interactions energy: -711.139
where: short stacking energy: -305.686
Base-Backbone interact. energy: -1.341
local terms energy: -321.903034
where:
bonds (distance) C4'-P energy: -58.949
bonds (distance) P-C4' energy: -60.806
flat angles C4'-P-C4' energy: -69.856
flat angles P-C4'-P energy: -45.312
tors. eta vs tors. theta energy: -86.980
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: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -951.202075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.202075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.202075 (E_RNA)
where:
Base-Base interactions energy: -652.472
where: short stacking energy: -276.693
Base-Backbone interact. energy: -1.595
local terms energy: -297.135131
where:
bonds (distance) C4'-P energy: -61.839
bonds (distance) P-C4' energy: -66.627
flat angles C4'-P-C4' energy: -55.490
flat angles P-C4'-P energy: -39.735
tors. eta vs tors. theta energy: -73.444
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: 4, replica: 1
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -851.733318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.733318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.733318 (E_RNA)
where:
Base-Base interactions energy: -558.860
where: short stacking energy: -237.695
Base-Backbone interact. energy: -0.630
local terms energy: -292.243158
where:
bonds (distance) C4'-P energy: -67.508
bonds (distance) P-C4' energy: -54.157
flat angles C4'-P-C4' energy: -67.365
flat angles P-C4'-P energy: -42.069
tors. eta vs tors. theta energy: -61.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -856.809070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.809070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.809070 (E_RNA)
where:
Base-Base interactions energy: -557.209
where: short stacking energy: -259.025
Base-Backbone interact. energy: -2.552
local terms energy: -297.048850
where:
bonds (distance) C4'-P energy: -62.589
bonds (distance) P-C4' energy: -61.791
flat angles C4'-P-C4' energy: -64.224
flat angles P-C4'-P energy: -41.364
tors. eta vs tors. theta energy: -67.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -688.915120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.915120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.915120 (E_RNA)
where:
Base-Base interactions energy: -443.882
where: short stacking energy: -180.576
Base-Backbone interact. energy: -1.889
local terms energy: -245.520421
where:
bonds (distance) C4'-P energy: -58.383
bonds (distance) P-C4' energy: -49.082
flat angles C4'-P-C4' energy: -57.831
flat angles P-C4'-P energy: -47.681
tors. eta vs tors. theta energy: -32.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.377 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -674.285529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.285529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.285529 (E_RNA)
where:
Base-Base interactions energy: -413.542
where: short stacking energy: -179.989
Base-Backbone interact. energy: 4.755
local terms energy: -265.498430
where:
bonds (distance) C4'-P energy: -68.305
bonds (distance) P-C4' energy: -59.442
flat angles C4'-P-C4' energy: -64.583
flat angles P-C4'-P energy: -27.204
tors. eta vs tors. theta energy: -45.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -528.432895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.432895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.432895 (E_RNA)
where:
Base-Base interactions energy: -314.579
where: short stacking energy: -157.018
Base-Backbone interact. energy: -1.061
local terms energy: -212.792737
where:
bonds (distance) C4'-P energy: -67.540
bonds (distance) P-C4' energy: -44.907
flat angles C4'-P-C4' energy: -40.520
flat angles P-C4'-P energy: -33.066
tors. eta vs tors. theta energy: -26.759
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: 5
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -372.743250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.743250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.743250 (E_RNA)
where:
Base-Base interactions energy: -182.775
where: short stacking energy: -113.531
Base-Backbone interact. energy: -1.127
local terms energy: -188.841578
where:
bonds (distance) C4'-P energy: -58.997
bonds (distance) P-C4' energy: -62.795
flat angles C4'-P-C4' energy: -47.095
flat angles P-C4'-P energy: -20.331
tors. eta vs tors. theta energy: 0.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -279.242161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.242161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.242161 (E_RNA)
where:
Base-Base interactions energy: -96.284
where: short stacking energy: -49.314
Base-Backbone interact. energy: -0.065
local terms energy: -182.892953
where:
bonds (distance) C4'-P energy: -54.416
bonds (distance) P-C4' energy: -56.677
flat angles C4'-P-C4' energy: -49.527
flat angles P-C4'-P energy: -25.609
tors. eta vs tors. theta energy: 3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1067.989110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.989110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.989110 (E_RNA)
where:
Base-Base interactions energy: -721.030
where: short stacking energy: -319.110
Base-Backbone interact. energy: -1.630
local terms energy: -345.328790
where:
bonds (distance) C4'-P energy: -58.529
bonds (distance) P-C4' energy: -68.147
flat angles C4'-P-C4' energy: -72.457
flat angles P-C4'-P energy: -54.120
tors. eta vs tors. theta energy: -92.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1046.845912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.845912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.845912 (E_RNA)
where:
Base-Base interactions energy: -705.874
where: short stacking energy: -313.726
Base-Backbone interact. energy: -6.439
local terms energy: -334.533107
where:
bonds (distance) C4'-P energy: -69.721
bonds (distance) P-C4' energy: -66.761
flat angles C4'-P-C4' energy: -62.149
flat angles P-C4'-P energy: -46.744
tors. eta vs tors. theta energy: -89.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -967.368972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.368972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.368972 (E_RNA)
where:
Base-Base interactions energy: -653.481
where: short stacking energy: -291.433
Base-Backbone interact. energy: -0.966
local terms energy: -312.922248
where:
bonds (distance) C4'-P energy: -62.866
bonds (distance) P-C4' energy: -54.613
flat angles C4'-P-C4' energy: -62.612
flat angles P-C4'-P energy: -48.835
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: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -918.882163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.882163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.882163 (E_RNA)
where:
Base-Base interactions energy: -601.587
where: short stacking energy: -254.907
Base-Backbone interact. energy: -0.728
local terms energy: -316.567601
where:
bonds (distance) C4'-P energy: -63.987
bonds (distance) P-C4' energy: -64.693
flat angles C4'-P-C4' energy: -67.247
flat angles P-C4'-P energy: -46.273
tors. eta vs tors. theta energy: -74.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -820.850929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.850929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.850929 (E_RNA)
where:
Base-Base interactions energy: -541.965
where: short stacking energy: -235.592
Base-Backbone interact. energy: 1.784
local terms energy: -280.669816
where:
bonds (distance) C4'-P energy: -63.865
bonds (distance) P-C4' energy: -62.234
flat angles C4'-P-C4' energy: -61.600
flat angles P-C4'-P energy: -31.360
tors. eta vs tors. theta energy: -61.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -725.320749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.320749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.320749 (E_RNA)
where:
Base-Base interactions energy: -443.871
where: short stacking energy: -215.282
Base-Backbone interact. energy: -1.946
local terms energy: -279.504616
where:
bonds (distance) C4'-P energy: -58.170
bonds (distance) P-C4' energy: -63.419
flat angles C4'-P-C4' energy: -60.418
flat angles P-C4'-P energy: -48.128
tors. eta vs tors. theta energy: -49.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -635.339020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.339020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.339020 (E_RNA)
where:
Base-Base interactions energy: -392.335
where: short stacking energy: -163.964
Base-Backbone interact. energy: 1.534
local terms energy: -244.724828
where:
bonds (distance) C4'-P energy: -54.916
bonds (distance) P-C4' energy: -70.030
flat angles C4'-P-C4' energy: -56.826
flat angles P-C4'-P energy: -35.749
tors. eta vs tors. theta energy: -27.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.187 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -493.416264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.416264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.416264 (E_RNA)
where:
Base-Base interactions energy: -298.180
where: short stacking energy: -131.894
Base-Backbone interact. energy: -1.887
local terms energy: -193.349774
where:
bonds (distance) C4'-P energy: -53.091
bonds (distance) P-C4' energy: -48.971
flat angles C4'-P-C4' energy: -53.470
flat angles P-C4'-P energy: -26.186
tors. eta vs tors. theta energy: -11.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -375.906309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.906309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.906309 (E_RNA)
where:
Base-Base interactions energy: -195.436
where: short stacking energy: -108.583
Base-Backbone interact. energy: -1.927
local terms energy: -178.543166
where:
bonds (distance) C4'-P energy: -45.291
bonds (distance) P-C4' energy: -58.335
flat angles C4'-P-C4' energy: -46.710
flat angles P-C4'-P energy: -30.864
tors. eta vs tors. theta energy: 2.657
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: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -271.310093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.310093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.310093 (E_RNA)
where:
Base-Base interactions energy: -80.893
where: short stacking energy: -75.845
Base-Backbone interact. energy: -0.659
local terms energy: -189.758660
where:
bonds (distance) C4'-P energy: -55.178
bonds (distance) P-C4' energy: -61.374
flat angles C4'-P-C4' energy: -58.808
flat angles P-C4'-P energy: -30.703
tors. eta vs tors. theta energy: 16.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1044.771856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.771856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.771856 (E_RNA)
where:
Base-Base interactions energy: -702.347
where: short stacking energy: -305.138
Base-Backbone interact. energy: -2.273
local terms energy: -340.152265
where:
bonds (distance) C4'-P energy: -63.508
bonds (distance) P-C4' energy: -63.210
flat angles C4'-P-C4' energy: -77.866
flat angles P-C4'-P energy: -44.721
tors. eta vs tors. theta energy: -90.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1048.606399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.606399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.606399 (E_RNA)
where:
Base-Base interactions energy: -698.863
where: short stacking energy: -323.663
Base-Backbone interact. energy: -6.329
local terms energy: -343.414611
where:
bonds (distance) C4'-P energy: -63.322
bonds (distance) P-C4' energy: -65.572
flat angles C4'-P-C4' energy: -73.267
flat angles P-C4'-P energy: -46.814
tors. eta vs tors. theta energy: -94.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -937.364538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.364538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.364538 (E_RNA)
where:
Base-Base interactions energy: -642.103
where: short stacking energy: -243.409
Base-Backbone interact. energy: -1.091
local terms energy: -294.170736
where:
bonds (distance) C4'-P energy: -56.412
bonds (distance) P-C4' energy: -63.344
flat angles C4'-P-C4' energy: -66.715
flat angles P-C4'-P energy: -37.539
tors. eta vs tors. theta energy: -70.161
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: 10
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -908.054831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.054831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.054831 (E_RNA)
where:
Base-Base interactions energy: -599.076
where: short stacking energy: -272.333
Base-Backbone interact. energy: -1.099
local terms energy: -307.879674
where:
bonds (distance) C4'-P energy: -59.732
bonds (distance) P-C4' energy: -57.815
flat angles C4'-P-C4' energy: -67.091
flat angles P-C4'-P energy: -44.753
tors. eta vs tors. theta energy: -78.488
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: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -848.243682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.243682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.243682 (E_RNA)
where:
Base-Base interactions energy: -567.895
where: short stacking energy: -224.010
Base-Backbone interact. energy: -0.856
local terms energy: -279.492495
where:
bonds (distance) C4'-P energy: -53.524
bonds (distance) P-C4' energy: -62.194
flat angles C4'-P-C4' energy: -63.367
flat angles P-C4'-P energy: -39.908
tors. eta vs tors. theta energy: -60.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -696.524118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.524118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.524118 (E_RNA)
where:
Base-Base interactions energy: -438.933
where: short stacking energy: -214.638
Base-Backbone interact. energy: 1.274
local terms energy: -258.864999
where:
bonds (distance) C4'-P energy: -40.615
bonds (distance) P-C4' energy: -59.173
flat angles C4'-P-C4' energy: -60.621
flat angles P-C4'-P energy: -39.556
tors. eta vs tors. theta energy: -58.900
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: 7
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -583.433388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.433388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.433388 (E_RNA)
where:
Base-Base interactions energy: -353.651
where: short stacking energy: -156.121
Base-Backbone interact. energy: -3.830
local terms energy: -226.900126
where:
bonds (distance) C4'-P energy: -49.266
bonds (distance) P-C4' energy: -67.008
flat angles C4'-P-C4' energy: -59.814
flat angles P-C4'-P energy: -27.936
tors. eta vs tors. theta energy: -22.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.947 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -485.772370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.772370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.772370 (E_RNA)
where:
Base-Base interactions energy: -265.674
where: short stacking energy: -131.230
Base-Backbone interact. energy: 0.051
local terms energy: -220.148765
where:
bonds (distance) C4'-P energy: -49.924
bonds (distance) P-C4' energy: -64.364
flat angles C4'-P-C4' energy: -50.329
flat angles P-C4'-P energy: -32.064
tors. eta vs tors. theta energy: -23.468
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: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -284.985888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.985888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.985888 (E_RNA)
where:
Base-Base interactions energy: -106.556
where: short stacking energy: -79.045
Base-Backbone interact. energy: -0.702
local terms energy: -178.275205
where:
bonds (distance) C4'-P energy: -48.893
bonds (distance) P-C4' energy: -46.899
flat angles C4'-P-C4' energy: -52.984
flat angles P-C4'-P energy: -42.466
tors. eta vs tors. theta energy: 12.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.548 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -340.465070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.465070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.465070 (E_RNA)
where:
Base-Base interactions energy: -156.880
where: short stacking energy: -96.902
Base-Backbone interact. energy: 0.062
local terms energy: -183.646887
where:
bonds (distance) C4'-P energy: -56.366
bonds (distance) P-C4' energy: -49.510
flat angles C4'-P-C4' energy: -45.590
flat angles P-C4'-P energy: -27.688
tors. eta vs tors. theta energy: -4.493
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: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1058.437527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.437527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.437527 (E_RNA)
where:
Base-Base interactions energy: -715.208
where: short stacking energy: -309.140
Base-Backbone interact. energy: -1.776
local terms energy: -341.453028
where:
bonds (distance) C4'-P energy: -61.838
bonds (distance) P-C4' energy: -64.401
flat angles C4'-P-C4' energy: -77.191
flat angles P-C4'-P energy: -45.658
tors. eta vs tors. theta energy: -92.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1045.892682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.892682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.892682 (E_RNA)
where:
Base-Base interactions energy: -693.772
where: short stacking energy: -295.502
Base-Backbone interact. energy: -6.173
local terms energy: -346.070860
where:
bonds (distance) C4'-P energy: -69.308
bonds (distance) P-C4' energy: -65.499
flat angles C4'-P-C4' energy: -74.119
flat angles P-C4'-P energy: -53.283
tors. eta vs tors. theta energy: -83.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.123 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -947.198950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.198950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.198950 (E_RNA)
where:
Base-Base interactions energy: -625.423
where: short stacking energy: -258.949
Base-Backbone interact. energy: -1.260
local terms energy: -320.515587
where:
bonds (distance) C4'-P energy: -61.485
bonds (distance) P-C4' energy: -61.232
flat angles C4'-P-C4' energy: -68.427
flat angles P-C4'-P energy: -48.214
tors. eta vs tors. theta energy: -81.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -864.141095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.141095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.141095 (E_RNA)
where:
Base-Base interactions energy: -593.020
where: short stacking energy: -260.095
Base-Backbone interact. energy: -0.749
local terms energy: -270.372851
where:
bonds (distance) C4'-P energy: -52.898
bonds (distance) P-C4' energy: -57.844
flat angles C4'-P-C4' energy: -57.649
flat angles P-C4'-P energy: -37.543
tors. eta vs tors. theta energy: -64.439
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: 261
Temperature: 1.100000
Total energy: -894.186631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.186631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.186631 (E_RNA)
where:
Base-Base interactions energy: -608.698
where: short stacking energy: -258.924
Base-Backbone interact. energy: -0.470
local terms energy: -285.018658
where:
bonds (distance) C4'-P energy: -53.141
bonds (distance) P-C4' energy: -55.545
flat angles C4'-P-C4' energy: -66.129
flat angles P-C4'-P energy: -36.657
tors. eta vs tors. theta energy: -73.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -725.313793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.313793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.313793 (E_RNA)
where:
Base-Base interactions energy: -457.324
where: short stacking energy: -207.951
Base-Backbone interact. energy: -1.624
local terms energy: -266.365835
where:
bonds (distance) C4'-P energy: -58.199
bonds (distance) P-C4' energy: -56.988
flat angles C4'-P-C4' energy: -60.662
flat angles P-C4'-P energy: -39.742
tors. eta vs tors. theta energy: -50.774
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: 7
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -609.659793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.659793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.659793 (E_RNA)
where:
Base-Base interactions energy: -390.192
where: short stacking energy: -160.607
Base-Backbone interact. energy: -0.418
local terms energy: -219.049718
where:
bonds (distance) C4'-P energy: -55.393
bonds (distance) P-C4' energy: -64.274
flat angles C4'-P-C4' energy: -43.109
flat angles P-C4'-P energy: -31.359
tors. eta vs tors. theta energy: -24.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -513.875195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.875195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.875195 (E_RNA)
where:
Base-Base interactions energy: -301.145
where: short stacking energy: -162.445
Base-Backbone interact. energy: 6.221
local terms energy: -218.951735
where:
bonds (distance) C4'-P energy: -62.100
bonds (distance) P-C4' energy: -54.601
flat angles C4'-P-C4' energy: -45.913
flat angles P-C4'-P energy: -26.076
tors. eta vs tors. theta energy: -30.263
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: 3
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -336.770246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.770246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.770246 (E_RNA)
where:
Base-Base interactions energy: -167.822
where: short stacking energy: -100.842
Base-Backbone interact. energy: 0.615
local terms energy: -170.078851
where:
bonds (distance) C4'-P energy: -47.471
bonds (distance) P-C4' energy: -52.798
flat angles C4'-P-C4' energy: -49.257
flat angles P-C4'-P energy: -27.025
tors. eta vs tors. theta energy: 6.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.516 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -325.207729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.207729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.207729 (E_RNA)
where:
Base-Base interactions energy: -149.867
where: short stacking energy: -91.065
Base-Backbone interact. energy: -0.735
local terms energy: -174.606177
where:
bonds (distance) C4'-P energy: -42.189
bonds (distance) P-C4' energy: -52.472
flat angles C4'-P-C4' energy: -49.004
flat angles P-C4'-P energy: -33.083
tors. eta vs tors. theta energy: 2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1041.929748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.929748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.929748 (E_RNA)
where:
Base-Base interactions energy: -711.028
where: short stacking energy: -294.570
Base-Backbone interact. energy: 0.535
local terms energy: -331.436592
where:
bonds (distance) C4'-P energy: -62.325
bonds (distance) P-C4' energy: -63.309
flat angles C4'-P-C4' energy: -68.871
flat angles P-C4'-P energy: -47.733
tors. eta vs tors. theta energy: -89.199
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: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1053.576443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.576443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.576443 (E_RNA)
where:
Base-Base interactions energy: -715.922
where: short stacking energy: -310.063
Base-Backbone interact. energy: -1.184
local terms energy: -336.470415
where:
bonds (distance) C4'-P energy: -63.671
bonds (distance) P-C4' energy: -65.843
flat angles C4'-P-C4' energy: -74.639
flat angles P-C4'-P energy: -41.469
tors. eta vs tors. theta energy: -90.850
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: 9
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -935.066700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.066700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.066700 (E_RNA)
where:
Base-Base interactions energy: -623.472
where: short stacking energy: -288.737
Base-Backbone interact. energy: -3.191
local terms energy: -308.403904
where:
bonds (distance) C4'-P energy: -59.032
bonds (distance) P-C4' energy: -61.509
flat angles C4'-P-C4' energy: -58.469
flat angles P-C4'-P energy: -46.254
tors. eta vs tors. theta energy: -83.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -889.978175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.978175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.978175 (E_RNA)
where:
Base-Base interactions energy: -573.619
where: short stacking energy: -257.472
Base-Backbone interact. energy: -0.782
local terms energy: -315.577682
where:
bonds (distance) C4'-P energy: -63.737
bonds (distance) P-C4' energy: -64.133
flat angles C4'-P-C4' energy: -66.413
flat angles P-C4'-P energy: -50.922
tors. eta vs tors. theta energy: -70.372
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: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -867.137883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.137883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.137883 (E_RNA)
where:
Base-Base interactions energy: -561.989
where: short stacking energy: -264.932
Base-Backbone interact. energy: -1.236
local terms energy: -303.912964
where:
bonds (distance) C4'-P energy: -55.938
bonds (distance) P-C4' energy: -55.056
flat angles C4'-P-C4' energy: -67.985
flat angles P-C4'-P energy: -46.257
tors. eta vs tors. theta energy: -78.677
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: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -762.915774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.915774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.915774 (E_RNA)
where:
Base-Base interactions energy: -476.819
where: short stacking energy: -215.039
Base-Backbone interact. energy: -1.180
local terms energy: -284.917023
where:
bonds (distance) C4'-P energy: -53.799
bonds (distance) P-C4' energy: -54.756
flat angles C4'-P-C4' energy: -76.537
flat angles P-C4'-P energy: -41.695
tors. eta vs tors. theta energy: -58.130
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: 7
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -614.823994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.823994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.823994 (E_RNA)
where:
Base-Base interactions energy: -367.425
where: short stacking energy: -167.637
Base-Backbone interact. energy: -0.974
local terms energy: -246.458445
where:
bonds (distance) C4'-P energy: -52.545
bonds (distance) P-C4' energy: -69.582
flat angles C4'-P-C4' energy: -61.122
flat angles P-C4'-P energy: -28.968
tors. eta vs tors. theta energy: -34.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.034 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -467.500995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.500995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.500995 (E_RNA)
where:
Base-Base interactions energy: -256.074
where: short stacking energy: -130.071
Base-Backbone interact. energy: 0.156
local terms energy: -212.062043
where:
bonds (distance) C4'-P energy: -52.388
bonds (distance) P-C4' energy: -49.066
flat angles C4'-P-C4' energy: -47.715
flat angles P-C4'-P energy: -42.416
tors. eta vs tors. theta energy: -20.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.479 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -346.373035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.373035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.373035 (E_RNA)
where:
Base-Base interactions energy: -176.073
where: short stacking energy: -98.509
Base-Backbone interact. energy: -0.960
local terms energy: -169.340635
where:
bonds (distance) C4'-P energy: -48.674
bonds (distance) P-C4' energy: -54.033
flat angles C4'-P-C4' energy: -45.433
flat angles P-C4'-P energy: -21.743
tors. eta vs tors. theta energy: 0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -262.043852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.043852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.043852 (E_RNA)
where:
Base-Base interactions energy: -92.911
where: short stacking energy: -80.381
Base-Backbone interact. energy: 1.077
local terms energy: -170.246061
where:
bonds (distance) C4'-P energy: -63.350
bonds (distance) P-C4' energy: -52.173
flat angles C4'-P-C4' energy: -39.093
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: 4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.036 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1065.981251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.981251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.981251 (E_RNA)
where:
Base-Base interactions energy: -716.336
where: short stacking energy: -293.090
Base-Backbone interact. energy: -0.845
local terms energy: -348.800222
where:
bonds (distance) C4'-P energy: -66.936
bonds (distance) P-C4' energy: -67.658
flat angles C4'-P-C4' energy: -76.735
flat angles P-C4'-P energy: -53.225
tors. eta vs tors. theta energy: -84.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1066.432911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.432911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.432911 (E_RNA)
where:
Base-Base interactions energy: -727.735
where: short stacking energy: -323.977
Base-Backbone interact. energy: -2.642
local terms energy: -336.055306
where:
bonds (distance) C4'-P energy: -64.021
bonds (distance) P-C4' energy: -65.050
flat angles C4'-P-C4' energy: -67.479
flat angles P-C4'-P energy: -46.601
tors. eta vs tors. theta energy: -92.904
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: 263
Temperature: 1.000000
Total energy: -936.199857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.199857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.199857 (E_RNA)
where:
Base-Base interactions energy: -616.083
where: short stacking energy: -280.461
Base-Backbone interact. energy: -1.888
local terms energy: -318.227981
where:
bonds (distance) C4'-P energy: -55.877
bonds (distance) P-C4' energy: -61.037
flat angles C4'-P-C4' energy: -77.593
flat angles P-C4'-P energy: -39.221
tors. eta vs tors. theta energy: -84.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -898.558733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.558733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.558733 (E_RNA)
where:
Base-Base interactions energy: -587.327
where: short stacking energy: -247.568
Base-Backbone interact. energy: -1.343
local terms energy: -309.889325
where:
bonds (distance) C4'-P energy: -65.331
bonds (distance) P-C4' energy: -65.369
flat angles C4'-P-C4' energy: -68.559
flat angles P-C4'-P energy: -48.286
tors. eta vs tors. theta energy: -62.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -835.658449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.658449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.658449 (E_RNA)
where:
Base-Base interactions energy: -556.873
where: short stacking energy: -239.675
Base-Backbone interact. energy: -1.104
local terms energy: -277.681002
where:
bonds (distance) C4'-P energy: -55.554
bonds (distance) P-C4' energy: -61.004
flat angles C4'-P-C4' energy: -60.179
flat angles P-C4'-P energy: -40.066
tors. eta vs tors. theta energy: -60.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -785.804698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.804698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.804698 (E_RNA)
where:
Base-Base interactions energy: -501.627
where: short stacking energy: -222.714
Base-Backbone interact. energy: -0.734
local terms energy: -283.443990
where:
bonds (distance) C4'-P energy: -54.150
bonds (distance) P-C4' energy: -65.841
flat angles C4'-P-C4' energy: -66.545
flat angles P-C4'-P energy: -41.848
tors. eta vs tors. theta energy: -55.060
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: 7, replica: 7
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -558.645816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.645816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.645816 (E_RNA)
where:
Base-Base interactions energy: -345.139
where: short stacking energy: -157.227
Base-Backbone interact. energy: 0.655
local terms energy: -214.162534
where:
bonds (distance) C4'-P energy: -55.949
bonds (distance) P-C4' energy: -58.929
flat angles C4'-P-C4' energy: -57.525
flat angles P-C4'-P energy: -22.142
tors. eta vs tors. theta energy: -19.618
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: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -471.040993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.040993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.040993 (E_RNA)
where:
Base-Base interactions energy: -277.201
where: short stacking energy: -122.545
Base-Backbone interact. energy: 0.844
local terms energy: -197.932389
where:
bonds (distance) C4'-P energy: -49.180
bonds (distance) P-C4' energy: -52.347
flat angles C4'-P-C4' energy: -49.013
flat angles P-C4'-P energy: -42.518
tors. eta vs tors. theta energy: -4.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.249 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -381.804291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.804291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.804291 (E_RNA)
where:
Base-Base interactions energy: -198.929
where: short stacking energy: -108.354
Base-Backbone interact. energy: -2.051
local terms energy: -180.823752
where:
bonds (distance) C4'-P energy: -53.618
bonds (distance) P-C4' energy: -47.504
flat angles C4'-P-C4' energy: -35.347
flat angles P-C4'-P energy: -34.813
tors. eta vs tors. theta energy: -9.542
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: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -264.385976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.385976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.385976 (E_RNA)
where:
Base-Base interactions energy: -83.419
where: short stacking energy: -71.593
Base-Backbone interact. energy: -0.332
local terms energy: -180.634792
where:
bonds (distance) C4'-P energy: -57.325
bonds (distance) P-C4' energy: -49.152
flat angles C4'-P-C4' energy: -61.574
flat angles P-C4'-P energy: -33.139
tors. eta vs tors. theta energy: 20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1065.159379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.159379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.159379 (E_RNA)
where:
Base-Base interactions energy: -730.590
where: short stacking energy: -309.586
Base-Backbone interact. energy: -2.244
local terms energy: -332.324796
where:
bonds (distance) C4'-P energy: -55.522
bonds (distance) P-C4' energy: -63.946
flat angles C4'-P-C4' energy: -67.627
flat angles P-C4'-P energy: -57.952
tors. eta vs tors. theta energy: -87.278
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: 2, replica: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1049.665766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.665766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.665766 (E_RNA)
where:
Base-Base interactions energy: -711.593
where: short stacking energy: -301.808
Base-Backbone interact. energy: -2.293
local terms energy: -335.779599
where:
bonds (distance) C4'-P energy: -63.018
bonds (distance) P-C4' energy: -63.537
flat angles C4'-P-C4' energy: -74.214
flat angles P-C4'-P energy: -44.030
tors. eta vs tors. theta energy: -90.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -965.440563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.440563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.440563 (E_RNA)
where:
Base-Base interactions energy: -652.253
where: short stacking energy: -286.859
Base-Backbone interact. energy: -2.685
local terms energy: -310.502974
where:
bonds (distance) C4'-P energy: -58.363
bonds (distance) P-C4' energy: -64.640
flat angles C4'-P-C4' energy: -69.853
flat angles P-C4'-P energy: -37.935
tors. eta vs tors. theta energy: -79.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -910.129556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.129556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.129556 (E_RNA)
where:
Base-Base interactions energy: -599.409
where: short stacking energy: -259.589
Base-Backbone interact. energy: -1.683
local terms energy: -309.037490
where:
bonds (distance) C4'-P energy: -64.065
bonds (distance) P-C4' energy: -61.369
flat angles C4'-P-C4' energy: -75.506
flat angles P-C4'-P energy: -34.069
tors. eta vs tors. theta energy: -74.027
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: 5, replica: 2
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -806.537901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.537901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.537901 (E_RNA)
where:
Base-Base interactions energy: -540.808
where: short stacking energy: -234.987
Base-Backbone interact. energy: -0.921
local terms energy: -264.808295
where:
bonds (distance) C4'-P energy: -45.638
bonds (distance) P-C4' energy: -61.359
flat angles C4'-P-C4' energy: -65.563
flat angles P-C4'-P energy: -40.351
tors. eta vs tors. theta energy: -51.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -769.964688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.964688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.964688 (E_RNA)
where:
Base-Base interactions energy: -490.362
where: short stacking energy: -209.148
Base-Backbone interact. energy: -1.382
local terms energy: -278.221621
where:
bonds (distance) C4'-P energy: -63.565
bonds (distance) P-C4' energy: -63.937
flat angles C4'-P-C4' energy: -52.092
flat angles P-C4'-P energy: -45.768
tors. eta vs tors. theta energy: -52.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -583.291668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.291668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.291668 (E_RNA)
where:
Base-Base interactions energy: -365.597
where: short stacking energy: -162.321
Base-Backbone interact. energy: -1.723
local terms energy: -215.971888
where:
bonds (distance) C4'-P energy: -51.876
bonds (distance) P-C4' energy: -50.570
flat angles C4'-P-C4' energy: -54.131
flat angles P-C4'-P energy: -28.641
tors. eta vs tors. theta energy: -30.754
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: 6
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -494.490324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.490324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.490324 (E_RNA)
where:
Base-Base interactions energy: -274.439
where: short stacking energy: -124.128
Base-Backbone interact. energy: -0.238
local terms energy: -219.813960
where:
bonds (distance) C4'-P energy: -45.675
bonds (distance) P-C4' energy: -49.921
flat angles C4'-P-C4' energy: -65.221
flat angles P-C4'-P energy: -34.853
tors. eta vs tors. theta energy: -24.143
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: 9, replica: 5
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -368.229580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.229580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.229580 (E_RNA)
where:
Base-Base interactions energy: -181.864
where: short stacking energy: -94.396
Base-Backbone interact. energy: -1.976
local terms energy: -184.389349
where:
bonds (distance) C4'-P energy: -48.741
bonds (distance) P-C4' energy: -50.905
flat angles C4'-P-C4' energy: -48.298
flat angles P-C4'-P energy: -31.980
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -277.006524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.006524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.006524 (E_RNA)
where:
Base-Base interactions energy: -108.741
where: short stacking energy: -76.974
Base-Backbone interact. energy: -1.629
local terms energy: -166.636127
where:
bonds (distance) C4'-P energy: -58.409
bonds (distance) P-C4' energy: -51.252
flat angles C4'-P-C4' energy: -43.101
flat angles P-C4'-P energy: -24.674
tors. eta vs tors. theta energy: 10.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1095.124796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.124796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.124796 (E_RNA)
where:
Base-Base interactions energy: -742.203
where: short stacking energy: -321.126
Base-Backbone interact. energy: -2.139
local terms energy: -350.783113
where:
bonds (distance) C4'-P energy: -62.578
bonds (distance) P-C4' energy: -65.266
flat angles C4'-P-C4' energy: -76.253
flat angles P-C4'-P energy: -51.493
tors. eta vs tors. theta energy: -95.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -995.351955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.351955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.351955 (E_RNA)
where:
Base-Base interactions energy: -656.265
where: short stacking energy: -289.575
Base-Backbone interact. energy: -0.416
local terms energy: -338.670853
where:
bonds (distance) C4'-P energy: -70.723
bonds (distance) P-C4' energy: -66.494
flat angles C4'-P-C4' energy: -69.855
flat angles P-C4'-P energy: -55.290
tors. eta vs tors. theta energy: -76.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1012.627237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.627237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.627237 (E_RNA)
where:
Base-Base interactions energy: -686.177
where: short stacking energy: -285.147
Base-Backbone interact. energy: -3.145
local terms energy: -323.304721
where:
bonds (distance) C4'-P energy: -65.487
bonds (distance) P-C4' energy: -72.465
flat angles C4'-P-C4' energy: -58.052
flat angles P-C4'-P energy: -44.850
tors. eta vs tors. theta energy: -82.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -896.325042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.325042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.325042 (E_RNA)
where:
Base-Base interactions energy: -586.587
where: short stacking energy: -281.567
Base-Backbone interact. energy: 0.678
local terms energy: -310.415980
where:
bonds (distance) C4'-P energy: -55.014
bonds (distance) P-C4' energy: -68.633
flat angles C4'-P-C4' energy: -62.738
flat angles P-C4'-P energy: -41.259
tors. eta vs tors. theta energy: -82.772
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: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -786.745246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.745246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.745246 (E_RNA)
where:
Base-Base interactions energy: -500.057
where: short stacking energy: -226.815
Base-Backbone interact. energy: -3.224
local terms energy: -283.464101
where:
bonds (distance) C4'-P energy: -53.833
bonds (distance) P-C4' energy: -60.054
flat angles C4'-P-C4' energy: -61.647
flat angles P-C4'-P energy: -46.679
tors. eta vs tors. theta energy: -61.251
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: 1
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -773.643980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.643980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.643980 (E_RNA)
where:
Base-Base interactions energy: -495.934
where: short stacking energy: -216.381
Base-Backbone interact. energy: -2.173
local terms energy: -275.537914
where:
bonds (distance) C4'-P energy: -55.271
bonds (distance) P-C4' energy: -61.061
flat angles C4'-P-C4' energy: -70.003
flat angles P-C4'-P energy: -32.935
tors. eta vs tors. theta energy: -56.268
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: 7, replica: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -585.872107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.872107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.872107 (E_RNA)
where:
Base-Base interactions energy: -350.128
where: short stacking energy: -169.105
Base-Backbone interact. energy: -1.639
local terms energy: -234.153505
where:
bonds (distance) C4'-P energy: -47.533
bonds (distance) P-C4' energy: -66.419
flat angles C4'-P-C4' energy: -63.035
flat angles P-C4'-P energy: -34.232
tors. eta vs tors. theta energy: -22.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.049 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -513.626489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.626489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.626489 (E_RNA)
where:
Base-Base interactions energy: -292.322
where: short stacking energy: -163.576
Base-Backbone interact. energy: 2.061
local terms energy: -223.365178
where:
bonds (distance) C4'-P energy: -46.305
bonds (distance) P-C4' energy: -67.252
flat angles C4'-P-C4' energy: -64.412
flat angles P-C4'-P energy: -23.847
tors. eta vs tors. theta energy: -21.549
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: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -346.858690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.858690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.858690 (E_RNA)
where:
Base-Base interactions energy: -173.082
where: short stacking energy: -75.250
Base-Backbone interact. energy: -1.049
local terms energy: -172.727359
where:
bonds (distance) C4'-P energy: -51.830
bonds (distance) P-C4' energy: -45.306
flat angles C4'-P-C4' energy: -57.249
flat angles P-C4'-P energy: -27.102
tors. eta vs tors. theta energy: 8.760
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: 10, replica: 3
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -307.904502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.904502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.904502 (E_RNA)
where:
Base-Base interactions energy: -102.842
where: short stacking energy: -78.868
Base-Backbone interact. energy: -0.242
local terms energy: -204.820784
where:
bonds (distance) C4'-P energy: -61.282
bonds (distance) P-C4' energy: -62.194
flat angles C4'-P-C4' energy: -56.248
flat angles P-C4'-P energy: -32.011
tors. eta vs tors. theta energy: 6.913
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: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1063.652478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.652478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.652478 (E_RNA)
where:
Base-Base interactions energy: -721.050
where: short stacking energy: -303.430
Base-Backbone interact. energy: -0.549
local terms energy: -342.053287
where:
bonds (distance) C4'-P energy: -62.841
bonds (distance) P-C4' energy: -67.551
flat angles C4'-P-C4' energy: -68.545
flat angles P-C4'-P energy: -53.180
tors. eta vs tors. theta energy: -89.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -963.040430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.040430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.040430 (E_RNA)
where:
Base-Base interactions energy: -640.783
where: short stacking energy: -280.689
Base-Backbone interact. energy: -0.384
local terms energy: -321.872920
where:
bonds (distance) C4'-P energy: -65.569
bonds (distance) P-C4' energy: -69.604
flat angles C4'-P-C4' energy: -68.409
flat angles P-C4'-P energy: -41.751
tors. eta vs tors. theta energy: -76.540
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: 8
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1009.285415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.285415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.285415 (E_RNA)
where:
Base-Base interactions energy: -682.164
where: short stacking energy: -289.299
Base-Backbone interact. energy: -1.693
local terms energy: -325.428811
where:
bonds (distance) C4'-P energy: -58.955
bonds (distance) P-C4' energy: -72.686
flat angles C4'-P-C4' energy: -60.649
flat angles P-C4'-P energy: -47.586
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: 4, replica: 10
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -898.856530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.856530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.856530 (E_RNA)
where:
Base-Base interactions energy: -631.308
where: short stacking energy: -278.543
Base-Backbone interact. energy: -0.503
local terms energy: -267.044931
where:
bonds (distance) C4'-P energy: -50.056
bonds (distance) P-C4' energy: -47.821
flat angles C4'-P-C4' energy: -60.076
flat angles P-C4'-P energy: -46.505
tors. eta vs tors. theta energy: -62.587
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: 1
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -825.702015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.702015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.702015 (E_RNA)
where:
Base-Base interactions energy: -550.276
where: short stacking energy: -236.447
Base-Backbone interact. energy: -1.573
local terms energy: -273.852795
where:
bonds (distance) C4'-P energy: -57.087
bonds (distance) P-C4' energy: -57.449
flat angles C4'-P-C4' energy: -59.537
flat angles P-C4'-P energy: -40.497
tors. eta vs tors. theta energy: -59.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -781.790072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.790072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.790072 (E_RNA)
where:
Base-Base interactions energy: -513.772
where: short stacking energy: -220.157
Base-Backbone interact. energy: -1.914
local terms energy: -266.103834
where:
bonds (distance) C4'-P energy: -56.287
bonds (distance) P-C4' energy: -54.816
flat angles C4'-P-C4' energy: -66.789
flat angles P-C4'-P energy: -34.539
tors. eta vs tors. theta energy: -53.672
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: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -621.673633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.673633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.673633 (E_RNA)
where:
Base-Base interactions energy: -366.400
where: short stacking energy: -187.253
Base-Backbone interact. energy: -0.121
local terms energy: -255.643846
where:
bonds (distance) C4'-P energy: -58.296
bonds (distance) P-C4' energy: -57.835
flat angles C4'-P-C4' energy: -62.745
flat angles P-C4'-P energy: -38.244
tors. eta vs tors. theta energy: -38.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.491 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -523.700422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.700422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.700422 (E_RNA)
where:
Base-Base interactions energy: -326.631
where: short stacking energy: -133.974
Base-Backbone interact. energy: 6.953
local terms energy: -204.022793
where:
bonds (distance) C4'-P energy: -59.824
bonds (distance) P-C4' energy: -52.978
flat angles C4'-P-C4' energy: -50.136
flat angles P-C4'-P energy: -27.710
tors. eta vs tors. theta energy: -13.375
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: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -330.288128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.288128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.288128 (E_RNA)
where:
Base-Base interactions energy: -149.942
where: short stacking energy: -104.485
Base-Backbone interact. energy: 0.300
local terms energy: -180.645698
where:
bonds (distance) C4'-P energy: -56.461
bonds (distance) P-C4' energy: -47.781
flat angles C4'-P-C4' energy: -58.168
flat angles P-C4'-P energy: -24.582
tors. eta vs tors. theta energy: 6.347
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: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -357.586904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.586904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.586904 (E_RNA)
where:
Base-Base interactions energy: -170.105
where: short stacking energy: -97.036
Base-Backbone interact. energy: -1.436
local terms energy: -188.826441
where:
bonds (distance) C4'-P energy: -53.400
bonds (distance) P-C4' energy: -53.399
flat angles C4'-P-C4' energy: -52.793
flat angles P-C4'-P energy: -25.232
tors. eta vs tors. theta energy: -4.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.780 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1079.242266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.242266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.242266 (E_RNA)
where:
Base-Base interactions energy: -720.913
where: short stacking energy: -313.880
Base-Backbone interact. energy: -4.486
local terms energy: -353.843155
where:
bonds (distance) C4'-P energy: -61.766
bonds (distance) P-C4' energy: -66.795
flat angles C4'-P-C4' energy: -78.469
flat angles P-C4'-P energy: -52.575
tors. eta vs tors. theta energy: -94.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1024.365167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.365167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.365167 (E_RNA)
where:
Base-Base interactions energy: -688.439
where: short stacking energy: -297.811
Base-Backbone interact. energy: -0.836
local terms energy: -335.130258
where:
bonds (distance) C4'-P energy: -65.231
bonds (distance) P-C4' energy: -66.767
flat angles C4'-P-C4' energy: -73.558
flat angles P-C4'-P energy: -45.481
tors. eta vs tors. theta energy: -84.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.041 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -946.561579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.561579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.561579 (E_RNA)
where:
Base-Base interactions energy: -644.353
where: short stacking energy: -273.381
Base-Backbone interact. energy: -1.515
local terms energy: -300.693278
where:
bonds (distance) C4'-P energy: -49.200
bonds (distance) P-C4' energy: -70.648
flat angles C4'-P-C4' energy: -65.430
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: -74.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -859.167086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.167086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.167086 (E_RNA)
where:
Base-Base interactions energy: -556.706
where: short stacking energy: -243.966
Base-Backbone interact. energy: 0.331
local terms energy: -302.792465
where:
bonds (distance) C4'-P energy: -59.029
bonds (distance) P-C4' energy: -65.095
flat angles C4'-P-C4' energy: -63.910
flat angles P-C4'-P energy: -42.024
tors. eta vs tors. theta energy: -72.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -837.433784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.433784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.433784 (E_RNA)
where:
Base-Base interactions energy: -553.100
where: short stacking energy: -249.471
Base-Backbone interact. energy: 2.416
local terms energy: -286.749854
where:
bonds (distance) C4'-P energy: -68.587
bonds (distance) P-C4' energy: -56.542
flat angles C4'-P-C4' energy: -63.313
flat angles P-C4'-P energy: -35.414
tors. eta vs tors. theta energy: -62.894
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: 6, replica: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -769.625458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.625458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.625458 (E_RNA)
where:
Base-Base interactions energy: -503.553
where: short stacking energy: -233.903
Base-Backbone interact. energy: -0.661
local terms energy: -265.410874
where:
bonds (distance) C4'-P energy: -58.411
bonds (distance) P-C4' energy: -57.769
flat angles C4'-P-C4' energy: -46.481
flat angles P-C4'-P energy: -44.123
tors. eta vs tors. theta energy: -58.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -574.125862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.125862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.125862 (E_RNA)
where:
Base-Base interactions energy: -353.058
where: short stacking energy: -170.051
Base-Backbone interact. energy: -0.115
local terms energy: -221.114172
where:
bonds (distance) C4'-P energy: -42.101
bonds (distance) P-C4' energy: -55.321
flat angles C4'-P-C4' energy: -59.715
flat angles P-C4'-P energy: -38.140
tors. eta vs tors. theta energy: -25.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.161 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -522.502936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.502936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.502936 (E_RNA)
where:
Base-Base interactions energy: -313.970
where: short stacking energy: -152.280
Base-Backbone interact. energy: 0.164
local terms energy: -208.697591
where:
bonds (distance) C4'-P energy: -65.290
bonds (distance) P-C4' energy: -53.842
flat angles C4'-P-C4' energy: -35.196
flat angles P-C4'-P energy: -45.397
tors. eta vs tors. theta energy: -8.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -336.007123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.007123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.007123 (E_RNA)
where:
Base-Base interactions energy: -150.683
where: short stacking energy: -104.798
Base-Backbone interact. energy: 0.930
local terms energy: -186.254633
where:
bonds (distance) C4'-P energy: -46.469
bonds (distance) P-C4' energy: -63.583
flat angles C4'-P-C4' energy: -43.915
flat angles P-C4'-P energy: -33.693
tors. eta vs tors. theta energy: 1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -344.799861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.799861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.799861 (E_RNA)
where:
Base-Base interactions energy: -162.574
where: short stacking energy: -109.102
Base-Backbone interact. energy: -2.341
local terms energy: -179.884394
where:
bonds (distance) C4'-P energy: -55.626
bonds (distance) P-C4' energy: -56.157
flat angles C4'-P-C4' energy: -43.800
flat angles P-C4'-P energy: -20.781
tors. eta vs tors. theta energy: -3.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1053.898361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.898361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.898361 (E_RNA)
where:
Base-Base interactions energy: -712.630
where: short stacking energy: -316.706
Base-Backbone interact. energy: 0.698
local terms energy: -341.966223
where:
bonds (distance) C4'-P energy: -68.829
bonds (distance) P-C4' energy: -69.175
flat angles C4'-P-C4' energy: -74.445
flat angles P-C4'-P energy: -43.496
tors. eta vs tors. theta energy: -86.021
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: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1032.797043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.797043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.797043 (E_RNA)
where:
Base-Base interactions energy: -709.372
where: short stacking energy: -316.927
Base-Backbone interact. energy: -2.197
local terms energy: -322.998713
where:
bonds (distance) C4'-P energy: -67.848
bonds (distance) P-C4' energy: -55.591
flat angles C4'-P-C4' energy: -66.036
flat angles P-C4'-P energy: -40.920
tors. eta vs tors. theta energy: -92.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.771 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -932.034759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.034759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.034759 (E_RNA)
where:
Base-Base interactions energy: -639.253
where: short stacking energy: -267.461
Base-Backbone interact. energy: -0.988
local terms energy: -291.793388
where:
bonds (distance) C4'-P energy: -64.041
bonds (distance) P-C4' energy: -59.631
flat angles C4'-P-C4' energy: -67.802
flat angles P-C4'-P energy: -30.195
tors. eta vs tors. theta energy: -70.123
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: 4, replica: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -871.539281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.539281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.539281 (E_RNA)
where:
Base-Base interactions energy: -569.304
where: short stacking energy: -264.988
Base-Backbone interact. energy: -0.268
local terms energy: -301.967748
where:
bonds (distance) C4'-P energy: -61.020
bonds (distance) P-C4' energy: -64.094
flat angles C4'-P-C4' energy: -62.935
flat angles P-C4'-P energy: -33.082
tors. eta vs tors. theta energy: -80.836
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: 10
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -814.094619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.094619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.094619 (E_RNA)
where:
Base-Base interactions energy: -530.851
where: short stacking energy: -257.471
Base-Backbone interact. energy: -0.610
local terms energy: -282.633178
where:
bonds (distance) C4'-P energy: -47.851
bonds (distance) P-C4' energy: -63.246
flat angles C4'-P-C4' energy: -58.959
flat angles P-C4'-P energy: -42.185
tors. eta vs tors. theta energy: -70.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -714.152726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.152726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.152726 (E_RNA)
where:
Base-Base interactions energy: -456.797
where: short stacking energy: -223.961
Base-Backbone interact. energy: 4.602
local terms energy: -261.957127
where:
bonds (distance) C4'-P energy: -47.436
bonds (distance) P-C4' energy: -63.287
flat angles C4'-P-C4' energy: -58.046
flat angles P-C4'-P energy: -34.853
tors. eta vs tors. theta energy: -58.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -497.489596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.489596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.489596 (E_RNA)
where:
Base-Base interactions energy: -281.355
where: short stacking energy: -138.438
Base-Backbone interact. energy: 1.440
local terms energy: -217.633172
where:
bonds (distance) C4'-P energy: -49.845
bonds (distance) P-C4' energy: -66.710
flat angles C4'-P-C4' energy: -53.115
flat angles P-C4'-P energy: -31.566
tors. eta vs tors. theta energy: -16.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.058 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -515.179821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.179821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.179821 (E_RNA)
where:
Base-Base interactions energy: -301.269
where: short stacking energy: -162.239
Base-Backbone interact. energy: -0.109
local terms energy: -214.284296
where:
bonds (distance) C4'-P energy: -50.126
bonds (distance) P-C4' energy: -63.994
flat angles C4'-P-C4' energy: -43.349
flat angles P-C4'-P energy: -26.101
tors. eta vs tors. theta energy: -30.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.483 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -350.221811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.221811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.221811 (E_RNA)
where:
Base-Base interactions energy: -148.566
where: short stacking energy: -97.084
Base-Backbone interact. energy: -0.620
local terms energy: -201.035757
where:
bonds (distance) C4'-P energy: -45.324
bonds (distance) P-C4' energy: -60.876
flat angles C4'-P-C4' energy: -56.850
flat angles P-C4'-P energy: -31.955
tors. eta vs tors. theta energy: -6.030
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: 3
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -319.295381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.295381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.295381 (E_RNA)
where:
Base-Base interactions energy: -160.436
where: short stacking energy: -106.899
Base-Backbone interact. energy: 2.911
local terms energy: -161.770302
where:
bonds (distance) C4'-P energy: -54.095
bonds (distance) P-C4' energy: -54.115
flat angles C4'-P-C4' energy: -48.457
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: 8.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1078.994239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.994239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.994239 (E_RNA)
where:
Base-Base interactions energy: -717.229
where: short stacking energy: -331.163
Base-Backbone interact. energy: 0.420
local terms energy: -362.184957
where:
bonds (distance) C4'-P energy: -69.248
bonds (distance) P-C4' energy: -70.876
flat angles C4'-P-C4' energy: -76.843
flat angles P-C4'-P energy: -54.932
tors. eta vs tors. theta energy: -90.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1031.446200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.446200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.446200 (E_RNA)
where:
Base-Base interactions energy: -705.542
where: short stacking energy: -307.078
Base-Backbone interact. energy: -1.661
local terms energy: -327.848373
where:
bonds (distance) C4'-P energy: -64.736
bonds (distance) P-C4' energy: -63.586
flat angles C4'-P-C4' energy: -67.150
flat angles P-C4'-P energy: -44.629
tors. eta vs tors. theta energy: -87.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.605 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -929.848920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.848920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.848920 (E_RNA)
where:
Base-Base interactions energy: -624.593
where: short stacking energy: -261.147
Base-Backbone interact. energy: -1.513
local terms energy: -303.743219
where:
bonds (distance) C4'-P energy: -53.138
bonds (distance) P-C4' energy: -60.996
flat angles C4'-P-C4' energy: -71.903
flat angles P-C4'-P energy: -40.329
tors. eta vs tors. theta energy: -77.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -862.940243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.940243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.940243 (E_RNA)
where:
Base-Base interactions energy: -558.548
where: short stacking energy: -249.098
Base-Backbone interact. energy: -2.884
local terms energy: -301.507751
where:
bonds (distance) C4'-P energy: -65.498
bonds (distance) P-C4' energy: -59.199
flat angles C4'-P-C4' energy: -62.359
flat angles P-C4'-P energy: -45.198
tors. eta vs tors. theta energy: -69.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -841.559057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.559057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.559057 (E_RNA)
where:
Base-Base interactions energy: -563.392
where: short stacking energy: -252.384
Base-Backbone interact. energy: -0.882
local terms energy: -277.285921
where:
bonds (distance) C4'-P energy: -49.602
bonds (distance) P-C4' energy: -58.585
flat angles C4'-P-C4' energy: -60.435
flat angles P-C4'-P energy: -37.287
tors. eta vs tors. theta energy: -71.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -698.163425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.163425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.163425 (E_RNA)
where:
Base-Base interactions energy: -437.864
where: short stacking energy: -194.898
Base-Backbone interact. energy: -0.772
local terms energy: -259.526943
where:
bonds (distance) C4'-P energy: -53.559
bonds (distance) P-C4' energy: -57.318
flat angles C4'-P-C4' energy: -67.861
flat angles P-C4'-P energy: -34.272
tors. eta vs tors. theta energy: -46.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -477.872104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.872104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.872104 (E_RNA)
where:
Base-Base interactions energy: -229.043
where: short stacking energy: -126.399
Base-Backbone interact. energy: -1.069
local terms energy: -247.759871
where:
bonds (distance) C4'-P energy: -63.110
bonds (distance) P-C4' energy: -64.199
flat angles C4'-P-C4' energy: -60.307
flat angles P-C4'-P energy: -31.840
tors. eta vs tors. theta energy: -28.304
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: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -524.727054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.727054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.727054 (E_RNA)
where:
Base-Base interactions energy: -303.920
where: short stacking energy: -142.957
Base-Backbone interact. energy: 2.217
local terms energy: -223.024406
where:
bonds (distance) C4'-P energy: -59.842
bonds (distance) P-C4' energy: -66.483
flat angles C4'-P-C4' energy: -56.082
flat angles P-C4'-P energy: -27.677
tors. eta vs tors. theta energy: -12.941
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: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -394.157185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.157185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.157185 (E_RNA)
where:
Base-Base interactions energy: -208.864
where: short stacking energy: -104.161
Base-Backbone interact. energy: -1.895
local terms energy: -183.398873
where:
bonds (distance) C4'-P energy: -40.321
bonds (distance) P-C4' energy: -60.247
flat angles C4'-P-C4' energy: -49.366
flat angles P-C4'-P energy: -32.792
tors. eta vs tors. theta energy: -0.674
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: 3
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -268.059075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.059075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.059075 (E_RNA)
where:
Base-Base interactions energy: -100.234
where: short stacking energy: -82.582
Base-Backbone interact. energy: 1.991
local terms energy: -169.815807
where:
bonds (distance) C4'-P energy: -51.056
bonds (distance) P-C4' energy: -60.968
flat angles C4'-P-C4' energy: -42.140
flat angles P-C4'-P energy: -26.089
tors. eta vs tors. theta energy: 10.437
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: 270
Temperature: 0.900000
Total energy: -1056.790183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.790183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.790183 (E_RNA)
where:
Base-Base interactions energy: -725.564
where: short stacking energy: -319.420
Base-Backbone interact. energy: -1.434
local terms energy: -329.792219
where:
bonds (distance) C4'-P energy: -47.984
bonds (distance) P-C4' energy: -72.270
flat angles C4'-P-C4' energy: -75.511
flat angles P-C4'-P energy: -48.329
tors. eta vs tors. theta energy: -85.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1041.155495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.155495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.155495 (E_RNA)
where:
Base-Base interactions energy: -715.935
where: short stacking energy: -293.525
Base-Backbone interact. energy: -1.706
local terms energy: -323.514393
where:
bonds (distance) C4'-P energy: -60.077
bonds (distance) P-C4' energy: -64.051
flat angles C4'-P-C4' energy: -66.714
flat angles P-C4'-P energy: -49.732
tors. eta vs tors. theta energy: -82.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -915.818316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.818316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.818316 (E_RNA)
where:
Base-Base interactions energy: -616.739
where: short stacking energy: -276.430
Base-Backbone interact. energy: -0.341
local terms energy: -298.738671
where:
bonds (distance) C4'-P energy: -71.156
bonds (distance) P-C4' energy: -56.458
flat angles C4'-P-C4' energy: -63.674
flat angles P-C4'-P energy: -39.287
tors. eta vs tors. theta energy: -68.164
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: 4, replica: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -856.273655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.273655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.273655 (E_RNA)
where:
Base-Base interactions energy: -566.592
where: short stacking energy: -250.221
Base-Backbone interact. energy: 0.164
local terms energy: -289.845681
where:
bonds (distance) C4'-P energy: -57.415
bonds (distance) P-C4' energy: -71.201
flat angles C4'-P-C4' energy: -64.561
flat angles P-C4'-P energy: -31.366
tors. eta vs tors. theta energy: -65.303
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: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -837.000970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.000970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.000970 (E_RNA)
where:
Base-Base interactions energy: -545.441
where: short stacking energy: -257.132
Base-Backbone interact. energy: -0.218
local terms energy: -291.797592
where:
bonds (distance) C4'-P energy: -47.502
bonds (distance) P-C4' energy: -65.414
flat angles C4'-P-C4' energy: -68.222
flat angles P-C4'-P energy: -40.974
tors. eta vs tors. theta energy: -69.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.456 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -724.483395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.483395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.483395 (E_RNA)
where:
Base-Base interactions energy: -444.314
where: short stacking energy: -227.079
Base-Backbone interact. energy: -2.033
local terms energy: -278.136269
where:
bonds (distance) C4'-P energy: -63.660
bonds (distance) P-C4' energy: -56.607
flat angles C4'-P-C4' energy: -61.397
flat angles P-C4'-P energy: -38.442
tors. eta vs tors. theta energy: -58.030
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: 7, replica: 7
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -550.617503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.617503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.617503 (E_RNA)
where:
Base-Base interactions energy: -327.615
where: short stacking energy: -161.804
Base-Backbone interact. energy: -0.584
local terms energy: -222.418200
where:
bonds (distance) C4'-P energy: -60.683
bonds (distance) P-C4' energy: -69.424
flat angles C4'-P-C4' energy: -38.553
flat angles P-C4'-P energy: -35.502
tors. eta vs tors. theta energy: -18.256
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: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -496.904118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.904118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.904118 (E_RNA)
where:
Base-Base interactions energy: -274.121
where: short stacking energy: -153.308
Base-Backbone interact. energy: -1.740
local terms energy: -221.043283
where:
bonds (distance) C4'-P energy: -58.171
bonds (distance) P-C4' energy: -56.703
flat angles C4'-P-C4' energy: -56.089
flat angles P-C4'-P energy: -35.108
tors. eta vs tors. theta energy: -14.971
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: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -465.785009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.785009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.785009 (E_RNA)
where:
Base-Base interactions energy: -265.088
where: short stacking energy: -133.637
Base-Backbone interact. energy: 1.858
local terms energy: -202.555029
where:
bonds (distance) C4'-P energy: -52.866
bonds (distance) P-C4' energy: -60.463
flat angles C4'-P-C4' energy: -51.593
flat angles P-C4'-P energy: -28.170
tors. eta vs tors. theta energy: -9.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -263.465901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.465901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.465901 (E_RNA)
where:
Base-Base interactions energy: -82.097
where: short stacking energy: -55.140
Base-Backbone interact. energy: 0.697
local terms energy: -182.066367
where:
bonds (distance) C4'-P energy: -58.543
bonds (distance) P-C4' energy: -67.120
flat angles C4'-P-C4' energy: -31.757
flat angles P-C4'-P energy: -43.305
tors. eta vs tors. theta energy: 18.659
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: 1, replica: 8
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1068.876332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.876332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.876332 (E_RNA)
where:
Base-Base interactions energy: -727.828
where: short stacking energy: -310.974
Base-Backbone interact. energy: -2.022
local terms energy: -339.026608
where:
bonds (distance) C4'-P energy: -69.123
bonds (distance) P-C4' energy: -62.960
flat angles C4'-P-C4' energy: -69.441
flat angles P-C4'-P energy: -47.140
tors. eta vs tors. theta energy: -90.363
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: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1035.611803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.611803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.611803 (E_RNA)
where:
Base-Base interactions energy: -694.508
where: short stacking energy: -317.860
Base-Backbone interact. energy: -1.857
local terms energy: -339.247283
where:
bonds (distance) C4'-P energy: -57.454
bonds (distance) P-C4' energy: -64.828
flat angles C4'-P-C4' energy: -72.989
flat angles P-C4'-P energy: -46.968
tors. eta vs tors. theta energy: -97.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -969.513249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.513249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.513249 (E_RNA)
where:
Base-Base interactions energy: -649.684
where: short stacking energy: -288.253
Base-Backbone interact. energy: -0.692
local terms energy: -319.136987
where:
bonds (distance) C4'-P energy: -63.210
bonds (distance) P-C4' energy: -65.726
flat angles C4'-P-C4' energy: -64.172
flat angles P-C4'-P energy: -49.037
tors. eta vs tors. theta energy: -76.993
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: 1
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -857.653882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.653882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.653882 (E_RNA)
where:
Base-Base interactions energy: -555.625
where: short stacking energy: -247.714
Base-Backbone interact. energy: -2.347
local terms energy: -299.682148
where:
bonds (distance) C4'-P energy: -57.372
bonds (distance) P-C4' energy: -56.560
flat angles C4'-P-C4' energy: -66.354
flat angles P-C4'-P energy: -45.493
tors. eta vs tors. theta energy: -73.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -810.230619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.230619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.230619 (E_RNA)
where:
Base-Base interactions energy: -520.917
where: short stacking energy: -248.219
Base-Backbone interact. energy: 0.803
local terms energy: -290.116914
where:
bonds (distance) C4'-P energy: -57.104
bonds (distance) P-C4' energy: -57.556
flat angles C4'-P-C4' energy: -58.752
flat angles P-C4'-P energy: -49.164
tors. eta vs tors. theta energy: -67.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -729.349660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.349660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.349660 (E_RNA)
where:
Base-Base interactions energy: -457.095
where: short stacking energy: -221.581
Base-Backbone interact. energy: 1.278
local terms energy: -273.532214
where:
bonds (distance) C4'-P energy: -68.240
bonds (distance) P-C4' energy: -44.427
flat angles C4'-P-C4' energy: -67.219
flat angles P-C4'-P energy: -34.290
tors. eta vs tors. theta energy: -59.357
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: 7
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -537.350519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.350519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.350519 (E_RNA)
where:
Base-Base interactions energy: -307.758
where: short stacking energy: -160.750
Base-Backbone interact. energy: 0.774
local terms energy: -230.366325
where:
bonds (distance) C4'-P energy: -56.321
bonds (distance) P-C4' energy: -53.529
flat angles C4'-P-C4' energy: -62.926
flat angles P-C4'-P energy: -33.036
tors. eta vs tors. theta energy: -24.555
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: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -503.462452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.462452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.462452 (E_RNA)
where:
Base-Base interactions energy: -299.940
where: short stacking energy: -146.602
Base-Backbone interact. energy: -0.501
local terms energy: -203.526224
where:
bonds (distance) C4'-P energy: -56.008
bonds (distance) P-C4' energy: -52.291
flat angles C4'-P-C4' energy: -51.505
flat angles P-C4'-P energy: -30.387
tors. eta vs tors. theta energy: -13.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.504 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -438.916112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.916112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.916112 (E_RNA)
where:
Base-Base interactions energy: -250.264
where: short stacking energy: -107.831
Base-Backbone interact. energy: 1.270
local terms energy: -189.921891
where:
bonds (distance) C4'-P energy: -49.101
bonds (distance) P-C4' energy: -53.271
flat angles C4'-P-C4' energy: -42.390
flat angles P-C4'-P energy: -29.025
tors. eta vs tors. theta energy: -16.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -267.418398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.418398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.418398 (E_RNA)
where:
Base-Base interactions energy: -110.217
where: short stacking energy: -102.963
Base-Backbone interact. energy: 6.960
local terms energy: -164.161679
where:
bonds (distance) C4'-P energy: -42.733
bonds (distance) P-C4' energy: -55.543
flat angles C4'-P-C4' energy: -47.816
flat angles P-C4'-P energy: -25.131
tors. eta vs tors. theta energy: 7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1076.871003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.871003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.871003 (E_RNA)
where:
Base-Base interactions energy: -748.928
where: short stacking energy: -315.128
Base-Backbone interact. energy: -0.385
local terms energy: -327.557992
where:
bonds (distance) C4'-P energy: -52.853
bonds (distance) P-C4' energy: -75.582
flat angles C4'-P-C4' energy: -74.830
flat angles P-C4'-P energy: -40.454
tors. eta vs tors. theta energy: -83.839
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: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1035.594426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.594426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.594426 (E_RNA)
where:
Base-Base interactions energy: -676.170
where: short stacking energy: -297.151
Base-Backbone interact. energy: -1.699
local terms energy: -357.725030
where:
bonds (distance) C4'-P energy: -65.034
bonds (distance) P-C4' energy: -71.638
flat angles C4'-P-C4' energy: -80.916
flat angles P-C4'-P energy: -51.639
tors. eta vs tors. theta energy: -88.498
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: 1
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -887.780358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.780358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.780358 (E_RNA)
where:
Base-Base interactions energy: -578.264
where: short stacking energy: -250.804
Base-Backbone interact. energy: -1.198
local terms energy: -308.318028
where:
bonds (distance) C4'-P energy: -61.609
bonds (distance) P-C4' energy: -63.172
flat angles C4'-P-C4' energy: -68.513
flat angles P-C4'-P energy: -42.960
tors. eta vs tors. theta energy: -72.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -909.594332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.594332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.594332 (E_RNA)
where:
Base-Base interactions energy: -586.476
where: short stacking energy: -266.518
Base-Backbone interact. energy: -0.333
local terms energy: -322.784938
where:
bonds (distance) C4'-P energy: -63.372
bonds (distance) P-C4' energy: -66.458
flat angles C4'-P-C4' energy: -73.612
flat angles P-C4'-P energy: -42.492
tors. eta vs tors. theta energy: -76.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -806.428936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.428936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.428936 (E_RNA)
where:
Base-Base interactions energy: -513.682
where: short stacking energy: -247.231
Base-Backbone interact. energy: 1.059
local terms energy: -293.805475
where:
bonds (distance) C4'-P energy: -63.982
bonds (distance) P-C4' energy: -61.523
flat angles C4'-P-C4' energy: -57.600
flat angles P-C4'-P energy: -43.014
tors. eta vs tors. theta energy: -67.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -723.102240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.102240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.102240 (E_RNA)
where:
Base-Base interactions energy: -452.054
where: short stacking energy: -205.001
Base-Backbone interact. energy: -1.935
local terms energy: -269.112837
where:
bonds (distance) C4'-P energy: -57.464
bonds (distance) P-C4' energy: -52.306
flat angles C4'-P-C4' energy: -52.893
flat angles P-C4'-P energy: -50.484
tors. eta vs tors. theta energy: -55.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -594.367258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.367258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.367258 (E_RNA)
where:
Base-Base interactions energy: -358.585
where: short stacking energy: -169.167
Base-Backbone interact. energy: 0.691
local terms energy: -236.473459
where:
bonds (distance) C4'-P energy: -50.714
bonds (distance) P-C4' energy: -55.792
flat angles C4'-P-C4' energy: -56.574
flat angles P-C4'-P energy: -35.367
tors. eta vs tors. theta energy: -38.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -523.030302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.030302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.030302 (E_RNA)
where:
Base-Base interactions energy: -310.216
where: short stacking energy: -134.999
Base-Backbone interact. energy: 1.481
local terms energy: -214.295845
where:
bonds (distance) C4'-P energy: -50.085
bonds (distance) P-C4' energy: -64.023
flat angles C4'-P-C4' energy: -48.633
flat angles P-C4'-P energy: -31.190
tors. eta vs tors. theta energy: -20.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -414.915242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.915242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.915242 (E_RNA)
where:
Base-Base interactions energy: -220.272
where: short stacking energy: -113.662
Base-Backbone interact. energy: -1.890
local terms energy: -192.754110
where:
bonds (distance) C4'-P energy: -46.094
bonds (distance) P-C4' energy: -58.593
flat angles C4'-P-C4' energy: -54.156
flat angles P-C4'-P energy: -40.559
tors. eta vs tors. theta energy: 6.648
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: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -279.843989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.843989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.843989 (E_RNA)
where:
Base-Base interactions energy: -101.244
where: short stacking energy: -73.578
Base-Backbone interact. energy: -1.685
local terms energy: -176.914432
where:
bonds (distance) C4'-P energy: -52.363
bonds (distance) P-C4' energy: -61.394
flat angles C4'-P-C4' energy: -48.072
flat angles P-C4'-P energy: -19.275
tors. eta vs tors. theta energy: 4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1072.194089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.194089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.194089 (E_RNA)
where:
Base-Base interactions energy: -727.130
where: short stacking energy: -333.059
Base-Backbone interact. energy: -2.303
local terms energy: -342.760371
where:
bonds (distance) C4'-P energy: -71.370
bonds (distance) P-C4' energy: -60.318
flat angles C4'-P-C4' energy: -75.406
flat angles P-C4'-P energy: -47.365
tors. eta vs tors. theta energy: -88.302
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: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1033.037920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.037920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.037920 (E_RNA)
where:
Base-Base interactions energy: -701.737
where: short stacking energy: -304.421
Base-Backbone interact. energy: -0.297
local terms energy: -331.003533
where:
bonds (distance) C4'-P energy: -63.345
bonds (distance) P-C4' energy: -63.267
flat angles C4'-P-C4' energy: -76.067
flat angles P-C4'-P energy: -46.346
tors. eta vs tors. theta energy: -81.978
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: 1
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -903.049819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.049819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.049819 (E_RNA)
where:
Base-Base interactions energy: -586.618
where: short stacking energy: -274.282
Base-Backbone interact. energy: -3.985
local terms energy: -312.446612
where:
bonds (distance) C4'-P energy: -67.174
bonds (distance) P-C4' energy: -53.310
flat angles C4'-P-C4' energy: -70.093
flat angles P-C4'-P energy: -43.369
tors. eta vs tors. theta energy: -78.501
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: 4, replica: 9
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -887.798527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.798527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.798527 (E_RNA)
where:
Base-Base interactions energy: -596.961
where: short stacking energy: -275.167
Base-Backbone interact. energy: -1.069
local terms energy: -289.769097
where:
bonds (distance) C4'-P energy: -43.734
bonds (distance) P-C4' energy: -54.493
flat angles C4'-P-C4' energy: -59.843
flat angles P-C4'-P energy: -50.966
tors. eta vs tors. theta energy: -80.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -844.904263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.904263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.904263 (E_RNA)
where:
Base-Base interactions energy: -562.023
where: short stacking energy: -248.546
Base-Backbone interact. energy: -0.762
local terms energy: -282.119995
where:
bonds (distance) C4'-P energy: -48.612
bonds (distance) P-C4' energy: -59.515
flat angles C4'-P-C4' energy: -68.833
flat angles P-C4'-P energy: -42.648
tors. eta vs tors. theta energy: -62.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -718.286260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.286260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.286260 (E_RNA)
where:
Base-Base interactions energy: -428.535
where: short stacking energy: -211.530
Base-Backbone interact. energy: -1.859
local terms energy: -287.892575
where:
bonds (distance) C4'-P energy: -55.149
bonds (distance) P-C4' energy: -51.984
flat angles C4'-P-C4' energy: -73.395
flat angles P-C4'-P energy: -45.574
tors. eta vs tors. theta energy: -61.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -581.680146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.680146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.680146 (E_RNA)
where:
Base-Base interactions energy: -367.830
where: short stacking energy: -176.516
Base-Backbone interact. energy: 2.610
local terms energy: -216.459817
where:
bonds (distance) C4'-P energy: -49.054
bonds (distance) P-C4' energy: -50.963
flat angles C4'-P-C4' energy: -48.896
flat angles P-C4'-P energy: -31.698
tors. eta vs tors. theta energy: -35.849
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: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -465.988060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.988060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.988060 (E_RNA)
where:
Base-Base interactions energy: -250.333
where: short stacking energy: -135.497
Base-Backbone interact. energy: 2.326
local terms energy: -217.980545
where:
bonds (distance) C4'-P energy: -64.953
bonds (distance) P-C4' energy: -55.230
flat angles C4'-P-C4' energy: -57.714
flat angles P-C4'-P energy: -25.787
tors. eta vs tors. theta energy: -14.297
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: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -477.308065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.308065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.308065 (E_RNA)
where:
Base-Base interactions energy: -256.628
where: short stacking energy: -140.924
Base-Backbone interact. energy: -0.723
local terms energy: -219.956762
where:
bonds (distance) C4'-P energy: -57.047
bonds (distance) P-C4' energy: -55.062
flat angles C4'-P-C4' energy: -48.411
flat angles P-C4'-P energy: -37.693
tors. eta vs tors. theta energy: -21.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -296.433094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.433094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.433094 (E_RNA)
where:
Base-Base interactions energy: -122.402
where: short stacking energy: -71.782
Base-Backbone interact. energy: 2.110
local terms energy: -176.141045
where:
bonds (distance) C4'-P energy: -42.516
bonds (distance) P-C4' energy: -63.567
flat angles C4'-P-C4' energy: -48.151
flat angles P-C4'-P energy: -37.679
tors. eta vs tors. theta energy: 15.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1072.054082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.054082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.054082 (E_RNA)
where:
Base-Base interactions energy: -726.341
where: short stacking energy: -309.167
Base-Backbone interact. energy: -2.476
local terms energy: -343.237200
where:
bonds (distance) C4'-P energy: -61.769
bonds (distance) P-C4' energy: -65.748
flat angles C4'-P-C4' energy: -77.710
flat angles P-C4'-P energy: -49.490
tors. eta vs tors. theta energy: -88.519
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: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1039.274885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.274885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.274885 (E_RNA)
where:
Base-Base interactions energy: -703.264
where: short stacking energy: -303.983
Base-Backbone interact. energy: -3.479
local terms energy: -332.531904
where:
bonds (distance) C4'-P energy: -64.438
bonds (distance) P-C4' energy: -59.217
flat angles C4'-P-C4' energy: -70.479
flat angles P-C4'-P energy: -43.368
tors. eta vs tors. theta energy: -95.031
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: 274
Temperature: 1.000000
Total energy: -920.101776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.101776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.101776 (E_RNA)
where:
Base-Base interactions energy: -622.168
where: short stacking energy: -265.780
Base-Backbone interact. energy: -0.319
local terms energy: -297.614839
where:
bonds (distance) C4'-P energy: -57.003
bonds (distance) P-C4' energy: -62.880
flat angles C4'-P-C4' energy: -67.533
flat angles P-C4'-P energy: -43.044
tors. eta vs tors. theta energy: -67.155
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: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -846.114558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.114558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.114558 (E_RNA)
where:
Base-Base interactions energy: -554.473
where: short stacking energy: -264.064
Base-Backbone interact. energy: -0.314
local terms energy: -291.328173
where:
bonds (distance) C4'-P energy: -48.598
bonds (distance) P-C4' energy: -62.649
flat angles C4'-P-C4' energy: -65.227
flat angles P-C4'-P energy: -41.029
tors. eta vs tors. theta energy: -73.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -839.366167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.366167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.366167 (E_RNA)
where:
Base-Base interactions energy: -563.458
where: short stacking energy: -235.829
Base-Backbone interact. energy: -1.908
local terms energy: -274.000134
where:
bonds (distance) C4'-P energy: -55.988
bonds (distance) P-C4' energy: -55.478
flat angles C4'-P-C4' energy: -60.741
flat angles P-C4'-P energy: -46.739
tors. eta vs tors. theta energy: -55.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -731.102677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.102677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.102677 (E_RNA)
where:
Base-Base interactions energy: -463.265
where: short stacking energy: -208.785
Base-Backbone interact. energy: -1.428
local terms energy: -266.409209
where:
bonds (distance) C4'-P energy: -57.758
bonds (distance) P-C4' energy: -59.974
flat angles C4'-P-C4' energy: -62.203
flat angles P-C4'-P energy: -33.345
tors. eta vs tors. theta energy: -53.130
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: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -581.922670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.922670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.922670 (E_RNA)
where:
Base-Base interactions energy: -344.138
where: short stacking energy: -173.726
Base-Backbone interact. energy: -0.977
local terms energy: -236.807699
where:
bonds (distance) C4'-P energy: -51.386
bonds (distance) P-C4' energy: -58.925
flat angles C4'-P-C4' energy: -65.459
flat angles P-C4'-P energy: -31.061
tors. eta vs tors. theta energy: -29.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -454.501220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.501220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.501220 (E_RNA)
where:
Base-Base interactions energy: -238.998
where: short stacking energy: -145.279
Base-Backbone interact. energy: -0.287
local terms energy: -215.216405
where:
bonds (distance) C4'-P energy: -44.742
bonds (distance) P-C4' energy: -56.181
flat angles C4'-P-C4' energy: -50.484
flat angles P-C4'-P energy: -42.364
tors. eta vs tors. theta energy: -21.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -516.613634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.613634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.613634 (E_RNA)
where:
Base-Base interactions energy: -308.803
where: short stacking energy: -157.250
Base-Backbone interact. energy: -1.533
local terms energy: -206.277583
where:
bonds (distance) C4'-P energy: -54.728
bonds (distance) P-C4' energy: -58.336
flat angles C4'-P-C4' energy: -51.661
flat angles P-C4'-P energy: -21.791
tors. eta vs tors. theta energy: -19.761
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: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -305.128089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.128089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.128089 (E_RNA)
where:
Base-Base interactions energy: -122.555
where: short stacking energy: -75.735
Base-Backbone interact. energy: 3.043
local terms energy: -185.616132
where:
bonds (distance) C4'-P energy: -60.647
bonds (distance) P-C4' energy: -53.640
flat angles C4'-P-C4' energy: -44.487
flat angles P-C4'-P energy: -23.987
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: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1077.442396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.442396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.442396 (E_RNA)
where:
Base-Base interactions energy: -730.788
where: short stacking energy: -323.016
Base-Backbone interact. energy: 1.796
local terms energy: -348.450520
where:
bonds (distance) C4'-P energy: -66.565
bonds (distance) P-C4' energy: -60.435
flat angles C4'-P-C4' energy: -74.330
flat angles P-C4'-P energy: -53.452
tors. eta vs tors. theta energy: -93.669
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: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1021.164256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.164256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.164256 (E_RNA)
where:
Base-Base interactions energy: -685.787
where: short stacking energy: -301.387
Base-Backbone interact. energy: -5.118
local terms energy: -330.259260
where:
bonds (distance) C4'-P energy: -60.700
bonds (distance) P-C4' energy: -68.301
flat angles C4'-P-C4' energy: -68.962
flat angles P-C4'-P energy: -50.337
tors. eta vs tors. theta energy: -81.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -926.602621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.602621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.602621 (E_RNA)
where:
Base-Base interactions energy: -649.108
where: short stacking energy: -274.361
Base-Backbone interact. energy: 1.595
local terms energy: -279.089972
where:
bonds (distance) C4'-P energy: -59.825
bonds (distance) P-C4' energy: -50.625
flat angles C4'-P-C4' energy: -65.623
flat angles P-C4'-P energy: -42.290
tors. eta vs tors. theta energy: -60.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -857.550138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.550138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.550138 (E_RNA)
where:
Base-Base interactions energy: -562.864
where: short stacking energy: -256.808
Base-Backbone interact. energy: -1.084
local terms energy: -293.601695
where:
bonds (distance) C4'-P energy: -64.614
bonds (distance) P-C4' energy: -62.217
flat angles C4'-P-C4' energy: -66.902
flat angles P-C4'-P energy: -40.324
tors. eta vs tors. theta energy: -59.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -881.015501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.015501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.015501 (E_RNA)
where:
Base-Base interactions energy: -581.143
where: short stacking energy: -240.313
Base-Backbone interact. energy: -2.016
local terms energy: -297.856614
where:
bonds (distance) C4'-P energy: -63.947
bonds (distance) P-C4' energy: -57.862
flat angles C4'-P-C4' energy: -66.093
flat angles P-C4'-P energy: -46.077
tors. eta vs tors. theta energy: -63.877
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: 2
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -699.527583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.527583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.527583 (E_RNA)
where:
Base-Base interactions energy: -431.088
where: short stacking energy: -226.877
Base-Backbone interact. energy: 9.092
local terms energy: -277.531891
where:
bonds (distance) C4'-P energy: -57.804
bonds (distance) P-C4' energy: -65.612
flat angles C4'-P-C4' energy: -66.227
flat angles P-C4'-P energy: -36.320
tors. eta vs tors. theta energy: -51.568
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: 7, replica: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -608.821799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.821799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.821799 (E_RNA)
where:
Base-Base interactions energy: -362.325
where: short stacking energy: -164.875
Base-Backbone interact. energy: 0.041
local terms energy: -246.538156
where:
bonds (distance) C4'-P energy: -60.808
bonds (distance) P-C4' energy: -57.740
flat angles C4'-P-C4' energy: -59.884
flat angles P-C4'-P energy: -36.875
tors. eta vs tors. theta energy: -31.231
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: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -545.755287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.755287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.755287 (E_RNA)
where:
Base-Base interactions energy: -319.390
where: short stacking energy: -154.988
Base-Backbone interact. energy: -2.439
local terms energy: -223.926230
where:
bonds (distance) C4'-P energy: -58.755
bonds (distance) P-C4' energy: -50.576
flat angles C4'-P-C4' energy: -54.177
flat angles P-C4'-P energy: -37.208
tors. eta vs tors. theta energy: -23.211
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: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -449.996741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.996741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.996741 (E_RNA)
where:
Base-Base interactions energy: -250.872
where: short stacking energy: -126.844
Base-Backbone interact. energy: -2.021
local terms energy: -197.103725
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -54.124
flat angles C4'-P-C4' energy: -54.717
flat angles P-C4'-P energy: -28.318
tors. eta vs tors. theta energy: -10.395
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: 10, replica: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -297.787794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.787794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.787794 (E_RNA)
where:
Base-Base interactions energy: -107.518
where: short stacking energy: -76.447
Base-Backbone interact. energy: -1.764
local terms energy: -188.506171
where:
bonds (distance) C4'-P energy: -57.858
bonds (distance) P-C4' energy: -58.663
flat angles C4'-P-C4' energy: -37.326
flat angles P-C4'-P energy: -38.540
tors. eta vs tors. theta energy: 3.881
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: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1072.729653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.729653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.729653 (E_RNA)
where:
Base-Base interactions energy: -725.973
where: short stacking energy: -325.462
Base-Backbone interact. energy: -1.452
local terms energy: -345.303822
where:
bonds (distance) C4'-P energy: -59.970
bonds (distance) P-C4' energy: -62.582
flat angles C4'-P-C4' energy: -74.082
flat angles P-C4'-P energy: -56.905
tors. eta vs tors. theta energy: -91.765
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: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1031.111970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.111970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.111970 (E_RNA)
where:
Base-Base interactions energy: -705.271
where: short stacking energy: -308.740
Base-Backbone interact. energy: -5.510
local terms energy: -320.330539
where:
bonds (distance) C4'-P energy: -59.552
bonds (distance) P-C4' energy: -66.692
flat angles C4'-P-C4' energy: -66.956
flat angles P-C4'-P energy: -47.382
tors. eta vs tors. theta energy: -79.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -937.544918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.544918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.544918 (E_RNA)
where:
Base-Base interactions energy: -641.294
where: short stacking energy: -282.308
Base-Backbone interact. energy: 0.143
local terms energy: -297.256527
where:
bonds (distance) C4'-P energy: -51.378
bonds (distance) P-C4' energy: -69.136
flat angles C4'-P-C4' energy: -65.100
flat angles P-C4'-P energy: -32.445
tors. eta vs tors. theta energy: -79.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.863 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -880.667027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.667027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.667027 (E_RNA)
where:
Base-Base interactions energy: -560.790
where: short stacking energy: -254.706
Base-Backbone interact. energy: 0.395
local terms energy: -320.271940
where:
bonds (distance) C4'-P energy: -59.254
bonds (distance) P-C4' energy: -70.035
flat angles C4'-P-C4' energy: -59.640
flat angles P-C4'-P energy: -52.284
tors. eta vs tors. theta energy: -79.060
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: 10
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -872.665561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.665561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.665561 (E_RNA)
where:
Base-Base interactions energy: -565.954
where: short stacking energy: -251.136
Base-Backbone interact. energy: -0.449
local terms energy: -306.262237
where:
bonds (distance) C4'-P energy: -56.251
bonds (distance) P-C4' energy: -55.217
flat angles C4'-P-C4' energy: -64.621
flat angles P-C4'-P energy: -50.279
tors. eta vs tors. theta energy: -79.894
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: 6, replica: 2
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -730.997455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.997455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.997455 (E_RNA)
where:
Base-Base interactions energy: -468.777
where: short stacking energy: -223.768
Base-Backbone interact. energy: -0.837
local terms energy: -261.384041
where:
bonds (distance) C4'-P energy: -64.012
bonds (distance) P-C4' energy: -48.879
flat angles C4'-P-C4' energy: -48.699
flat angles P-C4'-P energy: -40.920
tors. eta vs tors. theta energy: -58.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -603.180829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.180829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.180829 (E_RNA)
where:
Base-Base interactions energy: -371.485
where: short stacking energy: -188.255
Base-Backbone interact. energy: -0.016
local terms energy: -231.679754
where:
bonds (distance) C4'-P energy: -50.809
bonds (distance) P-C4' energy: -54.371
flat angles C4'-P-C4' energy: -61.313
flat angles P-C4'-P energy: -34.580
tors. eta vs tors. theta energy: -30.607
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: 5
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -564.557942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.557942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.557942 (E_RNA)
where:
Base-Base interactions energy: -334.431
where: short stacking energy: -149.697
Base-Backbone interact. energy: -0.130
local terms energy: -229.997858
where:
bonds (distance) C4'-P energy: -48.318
bonds (distance) P-C4' energy: -62.957
flat angles C4'-P-C4' energy: -63.515
flat angles P-C4'-P energy: -29.246
tors. eta vs tors. theta energy: -25.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -396.321621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.321621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.321621 (E_RNA)
where:
Base-Base interactions energy: -192.242
where: short stacking energy: -112.922
Base-Backbone interact. energy: 0.609
local terms energy: -204.688409
where:
bonds (distance) C4'-P energy: -52.523
bonds (distance) P-C4' energy: -56.252
flat angles C4'-P-C4' energy: -59.309
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -15.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -304.349361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.349361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.349361 (E_RNA)
where:
Base-Base interactions energy: -99.100
where: short stacking energy: -95.178
Base-Backbone interact. energy: 3.785
local terms energy: -209.033922
where:
bonds (distance) C4'-P energy: -55.891
bonds (distance) P-C4' energy: -62.176
flat angles C4'-P-C4' energy: -53.233
flat angles P-C4'-P energy: -34.694
tors. eta vs tors. theta energy: -3.039
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: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1046.554696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.554696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.554696 (E_RNA)
where:
Base-Base interactions energy: -701.154
where: short stacking energy: -316.858
Base-Backbone interact. energy: -3.984
local terms energy: -341.417002
where:
bonds (distance) C4'-P energy: -58.234
bonds (distance) P-C4' energy: -68.362
flat angles C4'-P-C4' energy: -76.945
flat angles P-C4'-P energy: -50.349
tors. eta vs tors. theta energy: -87.526
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: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1039.580518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.580518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.580518 (E_RNA)
where:
Base-Base interactions energy: -700.143
where: short stacking energy: -300.652
Base-Backbone interact. energy: -1.638
local terms energy: -337.800029
where:
bonds (distance) C4'-P energy: -70.062
bonds (distance) P-C4' energy: -66.315
flat angles C4'-P-C4' energy: -67.718
flat angles P-C4'-P energy: -45.707
tors. eta vs tors. theta energy: -87.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -960.020378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.020378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.020378 (E_RNA)
where:
Base-Base interactions energy: -659.448
where: short stacking energy: -265.847
Base-Backbone interact. energy: 2.213
local terms energy: -305.682699
where:
bonds (distance) C4'-P energy: -48.425
bonds (distance) P-C4' energy: -72.447
flat angles C4'-P-C4' energy: -69.610
flat angles P-C4'-P energy: -47.427
tors. eta vs tors. theta energy: -67.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.898 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -926.994506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.994506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.994506 (E_RNA)
where:
Base-Base interactions energy: -618.879
where: short stacking energy: -269.755
Base-Backbone interact. energy: -0.208
local terms energy: -307.907009
where:
bonds (distance) C4'-P energy: -57.314
bonds (distance) P-C4' energy: -64.942
flat angles C4'-P-C4' energy: -65.939
flat angles P-C4'-P energy: -46.547
tors. eta vs tors. theta energy: -73.165
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: 5, replica: 1
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -824.394294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.394294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.394294 (E_RNA)
where:
Base-Base interactions energy: -549.623
where: short stacking energy: -228.480
Base-Backbone interact. energy: -0.297
local terms energy: -274.474888
where:
bonds (distance) C4'-P energy: -62.282
bonds (distance) P-C4' energy: -46.205
flat angles C4'-P-C4' energy: -67.782
flat angles P-C4'-P energy: -36.648
tors. eta vs tors. theta energy: -61.557
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: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -769.470773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.470773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.470773 (E_RNA)
where:
Base-Base interactions energy: -471.210
where: short stacking energy: -234.123
Base-Backbone interact. energy: 0.323
local terms energy: -298.583974
where:
bonds (distance) C4'-P energy: -64.403
bonds (distance) P-C4' energy: -63.163
flat angles C4'-P-C4' energy: -57.781
flat angles P-C4'-P energy: -44.578
tors. eta vs tors. theta energy: -68.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -611.524473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.524473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.524473 (E_RNA)
where:
Base-Base interactions energy: -367.080
where: short stacking energy: -182.509
Base-Backbone interact. energy: -2.007
local terms energy: -242.437516
where:
bonds (distance) C4'-P energy: -53.351
bonds (distance) P-C4' energy: -66.043
flat angles C4'-P-C4' energy: -55.081
flat angles P-C4'-P energy: -30.000
tors. eta vs tors. theta energy: -37.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -596.691934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.691934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.691934 (E_RNA)
where:
Base-Base interactions energy: -360.160
where: short stacking energy: -153.716
Base-Backbone interact. energy: -1.013
local terms energy: -235.518770
where:
bonds (distance) C4'-P energy: -55.521
bonds (distance) P-C4' energy: -63.822
flat angles C4'-P-C4' energy: -48.202
flat angles P-C4'-P energy: -36.390
tors. eta vs tors. theta energy: -31.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -378.928324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.928324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.928324 (E_RNA)
where:
Base-Base interactions energy: -186.622
where: short stacking energy: -114.770
Base-Backbone interact. energy: 0.416
local terms energy: -193.785900
where:
bonds (distance) C4'-P energy: -53.266
bonds (distance) P-C4' energy: -46.774
flat angles C4'-P-C4' energy: -53.696
flat angles P-C4'-P energy: -35.144
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.063 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -272.705331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.705331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.705331 (E_RNA)
where:
Base-Base interactions energy: -104.002
where: short stacking energy: -94.770
Base-Backbone interact. energy: -1.224
local terms energy: -167.479254
where:
bonds (distance) C4'-P energy: -57.034
bonds (distance) P-C4' energy: -56.478
flat angles C4'-P-C4' energy: -39.447
flat angles P-C4'-P energy: -12.548
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: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1064.537304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.537304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.537304 (E_RNA)
where:
Base-Base interactions energy: -724.135
where: short stacking energy: -318.126
Base-Backbone interact. energy: -1.984
local terms energy: -338.419030
where:
bonds (distance) C4'-P energy: -70.802
bonds (distance) P-C4' energy: -66.795
flat angles C4'-P-C4' energy: -65.612
flat angles P-C4'-P energy: -49.758
tors. eta vs tors. theta energy: -85.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1026.484867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.484867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.484867 (E_RNA)
where:
Base-Base interactions energy: -700.710
where: short stacking energy: -302.304
Base-Backbone interact. energy: -2.320
local terms energy: -323.454760
where:
bonds (distance) C4'-P energy: -68.034
bonds (distance) P-C4' energy: -59.643
flat angles C4'-P-C4' energy: -71.857
flat angles P-C4'-P energy: -48.304
tors. eta vs tors. theta energy: -75.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -938.569345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.569345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.569345 (E_RNA)
where:
Base-Base interactions energy: -620.523
where: short stacking energy: -272.240
Base-Backbone interact. energy: -0.313
local terms energy: -317.733290
where:
bonds (distance) C4'-P energy: -64.582
bonds (distance) P-C4' energy: -69.556
flat angles C4'-P-C4' energy: -63.480
flat angles P-C4'-P energy: -44.933
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: 4, replica: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -900.257325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.257325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.257325 (E_RNA)
where:
Base-Base interactions energy: -584.045
where: short stacking energy: -267.526
Base-Backbone interact. energy: -0.532
local terms energy: -315.679850
where:
bonds (distance) C4'-P energy: -64.577
bonds (distance) P-C4' energy: -59.416
flat angles C4'-P-C4' energy: -63.617
flat angles P-C4'-P energy: -49.788
tors. eta vs tors. theta energy: -78.282
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: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -839.096012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.096012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.096012 (E_RNA)
where:
Base-Base interactions energy: -555.001
where: short stacking energy: -246.855
Base-Backbone interact. energy: -2.097
local terms energy: -281.998417
where:
bonds (distance) C4'-P energy: -52.218
bonds (distance) P-C4' energy: -54.273
flat angles C4'-P-C4' energy: -60.557
flat angles P-C4'-P energy: -43.042
tors. eta vs tors. theta energy: -71.909
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: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -732.770596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.770596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.770596 (E_RNA)
where:
Base-Base interactions energy: -454.006
where: short stacking energy: -207.566
Base-Backbone interact. energy: -0.425
local terms energy: -278.339796
where:
bonds (distance) C4'-P energy: -57.309
bonds (distance) P-C4' energy: -55.173
flat angles C4'-P-C4' energy: -65.799
flat angles P-C4'-P energy: -46.507
tors. eta vs tors. theta energy: -53.553
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: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -586.770727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.770727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.770727 (E_RNA)
where:
Base-Base interactions energy: -336.623
where: short stacking energy: -168.765
Base-Backbone interact. energy: -0.861
local terms energy: -249.286683
where:
bonds (distance) C4'-P energy: -57.957
bonds (distance) P-C4' energy: -61.790
flat angles C4'-P-C4' energy: -51.712
flat angles P-C4'-P energy: -38.923
tors. eta vs tors. theta energy: -38.905
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: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -550.812753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.812753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.812753 (E_RNA)
where:
Base-Base interactions energy: -330.639
where: short stacking energy: -159.436
Base-Backbone interact. energy: 1.022
local terms energy: -221.195525
where:
bonds (distance) C4'-P energy: -44.136
bonds (distance) P-C4' energy: -64.133
flat angles C4'-P-C4' energy: -52.155
flat angles P-C4'-P energy: -29.633
tors. eta vs tors. theta energy: -31.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -373.342907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.342907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.342907 (E_RNA)
where:
Base-Base interactions energy: -171.167
where: short stacking energy: -107.396
Base-Backbone interact. energy: -1.338
local terms energy: -200.903815
where:
bonds (distance) C4'-P energy: -48.538
bonds (distance) P-C4' energy: -68.823
flat angles C4'-P-C4' energy: -50.199
flat angles P-C4'-P energy: -35.693
tors. eta vs tors. theta energy: 2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.065 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -290.489772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.489772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.489772 (E_RNA)
where:
Base-Base interactions energy: -116.009
where: short stacking energy: -76.633
Base-Backbone interact. energy: 1.096
local terms energy: -176.099462
where:
bonds (distance) C4'-P energy: -62.873
bonds (distance) P-C4' energy: -46.713
flat angles C4'-P-C4' energy: -43.249
flat angles P-C4'-P energy: -32.001
tors. eta vs tors. theta energy: 8.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.522 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1049.932355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.932355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.932355 (E_RNA)
where:
Base-Base interactions energy: -709.254
where: short stacking energy: -318.489
Base-Backbone interact. energy: -3.255
local terms energy: -337.423551
where:
bonds (distance) C4'-P energy: -67.278
bonds (distance) P-C4' energy: -61.075
flat angles C4'-P-C4' energy: -72.411
flat angles P-C4'-P energy: -47.707
tors. eta vs tors. theta energy: -88.953
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: 4
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1016.452026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.452026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.452026 (E_RNA)
where:
Base-Base interactions energy: -700.400
where: short stacking energy: -305.774
Base-Backbone interact. energy: -2.461
local terms energy: -313.590818
where:
bonds (distance) C4'-P energy: -59.804
bonds (distance) P-C4' energy: -68.103
flat angles C4'-P-C4' energy: -74.056
flat angles P-C4'-P energy: -29.579
tors. eta vs tors. theta energy: -82.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -931.296892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.296892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.296892 (E_RNA)
where:
Base-Base interactions energy: -618.846
where: short stacking energy: -263.649
Base-Backbone interact. energy: -3.095
local terms energy: -309.405086
where:
bonds (distance) C4'-P energy: -58.523
bonds (distance) P-C4' energy: -56.092
flat angles C4'-P-C4' energy: -68.374
flat angles P-C4'-P energy: -45.388
tors. eta vs tors. theta energy: -81.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.049 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -880.382373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.382373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.382373 (E_RNA)
where:
Base-Base interactions energy: -564.595
where: short stacking energy: -255.036
Base-Backbone interact. energy: -2.366
local terms energy: -313.421189
where:
bonds (distance) C4'-P energy: -66.808
bonds (distance) P-C4' energy: -62.772
flat angles C4'-P-C4' energy: -72.689
flat angles P-C4'-P energy: -45.339
tors. eta vs tors. theta energy: -65.813
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: 10
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -837.657672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.657672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.657672 (E_RNA)
where:
Base-Base interactions energy: -559.670
where: short stacking energy: -244.482
Base-Backbone interact. energy: -0.237
local terms energy: -277.750210
where:
bonds (distance) C4'-P energy: -57.375
bonds (distance) P-C4' energy: -58.749
flat angles C4'-P-C4' energy: -56.354
flat angles P-C4'-P energy: -37.810
tors. eta vs tors. theta energy: -67.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -730.572775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.572775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.572775 (E_RNA)
where:
Base-Base interactions energy: -453.819
where: short stacking energy: -219.643
Base-Backbone interact. energy: -0.862
local terms energy: -275.891443
where:
bonds (distance) C4'-P energy: -59.778
bonds (distance) P-C4' energy: -58.122
flat angles C4'-P-C4' energy: -65.259
flat angles P-C4'-P energy: -37.611
tors. eta vs tors. theta energy: -55.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -621.628413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.628413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.628413 (E_RNA)
where:
Base-Base interactions energy: -399.040
where: short stacking energy: -183.106
Base-Backbone interact. energy: -0.436
local terms energy: -222.153066
where:
bonds (distance) C4'-P energy: -52.100
bonds (distance) P-C4' energy: -46.300
flat angles C4'-P-C4' energy: -48.174
flat angles P-C4'-P energy: -39.260
tors. eta vs tors. theta energy: -36.319
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: 8, replica: 5
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -520.818378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.818378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.818378 (E_RNA)
where:
Base-Base interactions energy: -294.742
where: short stacking energy: -138.996
Base-Backbone interact. energy: -0.059
local terms energy: -226.016967
where:
bonds (distance) C4'-P energy: -56.471
bonds (distance) P-C4' energy: -57.167
flat angles C4'-P-C4' energy: -52.172
flat angles P-C4'-P energy: -35.553
tors. eta vs tors. theta energy: -24.653
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: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -368.848122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.848122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.848122 (E_RNA)
where:
Base-Base interactions energy: -169.350
where: short stacking energy: -91.000
Base-Backbone interact. energy: -1.253
local terms energy: -198.245140
where:
bonds (distance) C4'-P energy: -52.883
bonds (distance) P-C4' energy: -61.728
flat angles C4'-P-C4' energy: -49.629
flat angles P-C4'-P energy: -39.514
tors. eta vs tors. theta energy: 5.509
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: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -318.545459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.545459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.545459 (E_RNA)
where:
Base-Base interactions energy: -141.995
where: short stacking energy: -99.362
Base-Backbone interact. energy: -0.725
local terms energy: -175.825406
where:
bonds (distance) C4'-P energy: -52.702
bonds (distance) P-C4' energy: -48.677
flat angles C4'-P-C4' energy: -39.624
flat angles P-C4'-P energy: -36.101
tors. eta vs tors. theta energy: 1.279
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: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1081.649891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.649891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.649891 (E_RNA)
where:
Base-Base interactions energy: -740.280
where: short stacking energy: -320.655
Base-Backbone interact. energy: -3.466
local terms energy: -338.312158
where:
bonds (distance) C4'-P energy: -65.023
bonds (distance) P-C4' energy: -65.460
flat angles C4'-P-C4' energy: -70.558
flat angles P-C4'-P energy: -45.260
tors. eta vs tors. theta energy: -92.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.409 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -997.091584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.091584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.091584 (E_RNA)
where:
Base-Base interactions energy: -666.176
where: short stacking energy: -275.937
Base-Backbone interact. energy: -2.109
local terms energy: -328.806536
where:
bonds (distance) C4'-P energy: -64.815
bonds (distance) P-C4' energy: -72.637
flat angles C4'-P-C4' energy: -72.283
flat angles P-C4'-P energy: -40.190
tors. eta vs tors. theta energy: -78.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -965.425099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.425099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.425099 (E_RNA)
where:
Base-Base interactions energy: -637.259
where: short stacking energy: -288.423
Base-Backbone interact. energy: 0.219
local terms energy: -328.385627
where:
bonds (distance) C4'-P energy: -48.187
bonds (distance) P-C4' energy: -75.234
flat angles C4'-P-C4' energy: -69.983
flat angles P-C4'-P energy: -44.787
tors. eta vs tors. theta energy: -90.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -892.707179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.707179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.707179 (E_RNA)
where:
Base-Base interactions energy: -589.530
where: short stacking energy: -251.032
Base-Backbone interact. energy: 0.500
local terms energy: -303.677534
where:
bonds (distance) C4'-P energy: -62.116
bonds (distance) P-C4' energy: -72.504
flat angles C4'-P-C4' energy: -70.243
flat angles P-C4'-P energy: -35.878
tors. eta vs tors. theta energy: -62.936
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: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -848.276624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.276624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.276624 (E_RNA)
where:
Base-Base interactions energy: -544.049
where: short stacking energy: -249.409
Base-Backbone interact. energy: -1.739
local terms energy: -302.489253
where:
bonds (distance) C4'-P energy: -65.636
bonds (distance) P-C4' energy: -61.667
flat angles C4'-P-C4' energy: -52.385
flat angles P-C4'-P energy: -50.771
tors. eta vs tors. theta energy: -72.030
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: 2
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -701.622938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.622938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.622938 (E_RNA)
where:
Base-Base interactions energy: -427.320
where: short stacking energy: -217.637
Base-Backbone interact. energy: -1.367
local terms energy: -272.936248
where:
bonds (distance) C4'-P energy: -56.027
bonds (distance) P-C4' energy: -69.361
flat angles C4'-P-C4' energy: -66.540
flat angles P-C4'-P energy: -28.357
tors. eta vs tors. theta energy: -52.652
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: 6
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -656.896503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.896503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.896503 (E_RNA)
where:
Base-Base interactions energy: -427.147
where: short stacking energy: -214.067
Base-Backbone interact. energy: -1.179
local terms energy: -228.569820
where:
bonds (distance) C4'-P energy: -40.354
bonds (distance) P-C4' energy: -53.199
flat angles C4'-P-C4' energy: -46.305
flat angles P-C4'-P energy: -35.791
tors. eta vs tors. theta energy: -52.920
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: 8, replica: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -492.897380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.897380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.897380 (E_RNA)
where:
Base-Base interactions energy: -265.101
where: short stacking energy: -137.302
Base-Backbone interact. energy: 0.645
local terms energy: -228.441755
where:
bonds (distance) C4'-P energy: -53.720
bonds (distance) P-C4' energy: -54.209
flat angles C4'-P-C4' energy: -59.378
flat angles P-C4'-P energy: -38.969
tors. eta vs tors. theta energy: -22.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -382.502683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.502683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.502683 (E_RNA)
where:
Base-Base interactions energy: -197.203
where: short stacking energy: -115.104
Base-Backbone interact. energy: -0.209
local terms energy: -185.090065
where:
bonds (distance) C4'-P energy: -40.162
bonds (distance) P-C4' energy: -51.720
flat angles C4'-P-C4' energy: -64.761
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -15.235
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: 10, replica: 3
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -323.646980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.646980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.646980 (E_RNA)
where:
Base-Base interactions energy: -165.169
where: short stacking energy: -90.501
Base-Backbone interact. energy: 1.437
local terms energy: -159.915415
where:
bonds (distance) C4'-P energy: -66.319
bonds (distance) P-C4' energy: -52.503
flat angles C4'-P-C4' energy: -23.060
flat angles P-C4'-P energy: -19.030
tors. eta vs tors. theta energy: 0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1064.846266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.846266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.846266 (E_RNA)
where:
Base-Base interactions energy: -716.948
where: short stacking energy: -314.893
Base-Backbone interact. energy: -3.429
local terms energy: -344.468885
where:
bonds (distance) C4'-P energy: -72.194
bonds (distance) P-C4' energy: -62.438
flat angles C4'-P-C4' energy: -76.190
flat angles P-C4'-P energy: -45.019
tors. eta vs tors. theta energy: -88.628
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: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1018.062834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.062834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.062834 (E_RNA)
where:
Base-Base interactions energy: -692.404
where: short stacking energy: -294.329
Base-Backbone interact. energy: -0.247
local terms energy: -325.411875
where:
bonds (distance) C4'-P energy: -59.834
bonds (distance) P-C4' energy: -59.152
flat angles C4'-P-C4' energy: -70.358
flat angles P-C4'-P energy: -47.613
tors. eta vs tors. theta energy: -88.455
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: 281
Temperature: 1.000000
Total energy: -928.596037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.596037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.596037 (E_RNA)
where:
Base-Base interactions energy: -609.249
where: short stacking energy: -271.837
Base-Backbone interact. energy: -1.526
local terms energy: -317.821693
where:
bonds (distance) C4'-P energy: -58.758
bonds (distance) P-C4' energy: -58.730
flat angles C4'-P-C4' energy: -69.106
flat angles P-C4'-P energy: -44.729
tors. eta vs tors. theta energy: -86.497
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: 1
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -871.802242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.802242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.802242 (E_RNA)
where:
Base-Base interactions energy: -576.414
where: short stacking energy: -245.683
Base-Backbone interact. energy: -0.775
local terms energy: -294.613353
where:
bonds (distance) C4'-P energy: -59.689
bonds (distance) P-C4' energy: -63.512
flat angles C4'-P-C4' energy: -61.786
flat angles P-C4'-P energy: -41.055
tors. eta vs tors. theta energy: -68.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -856.817619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.817619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.817619 (E_RNA)
where:
Base-Base interactions energy: -572.531
where: short stacking energy: -234.472
Base-Backbone interact. energy: -1.554
local terms energy: -284.125429
where:
bonds (distance) C4'-P energy: -56.942
bonds (distance) P-C4' energy: -60.675
flat angles C4'-P-C4' energy: -62.292
flat angles P-C4'-P energy: -41.662
tors. eta vs tors. theta energy: -62.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.392 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -705.936834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.936834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.936834 (E_RNA)
where:
Base-Base interactions energy: -428.742
where: short stacking energy: -236.230
Base-Backbone interact. energy: 2.979
local terms energy: -280.173915
where:
bonds (distance) C4'-P energy: -54.061
bonds (distance) P-C4' energy: -62.057
flat angles C4'-P-C4' energy: -67.990
flat angles P-C4'-P energy: -30.311
tors. eta vs tors. theta energy: -65.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -650.258260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.258260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.258260 (E_RNA)
where:
Base-Base interactions energy: -386.047
where: short stacking energy: -200.914
Base-Backbone interact. energy: -1.944
local terms energy: -262.267398
where:
bonds (distance) C4'-P energy: -62.029
bonds (distance) P-C4' energy: -49.386
flat angles C4'-P-C4' energy: -55.275
flat angles P-C4'-P energy: -47.390
tors. eta vs tors. theta energy: -48.188
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: 8, replica: 5
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -519.371204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.371204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.371204 (E_RNA)
where:
Base-Base interactions energy: -304.794
where: short stacking energy: -160.704
Base-Backbone interact. energy: 1.871
local terms energy: -216.447998
where:
bonds (distance) C4'-P energy: -53.022
bonds (distance) P-C4' energy: -42.163
flat angles C4'-P-C4' energy: -48.950
flat angles P-C4'-P energy: -43.687
tors. eta vs tors. theta energy: -28.626
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: 281
Temperature: 1.300000
Total energy: -353.646076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.646076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.646076 (E_RNA)
where:
Base-Base interactions energy: -176.373
where: short stacking energy: -115.581
Base-Backbone interact. energy: -0.273
local terms energy: -176.999179
where:
bonds (distance) C4'-P energy: -45.907
bonds (distance) P-C4' energy: -52.528
flat angles C4'-P-C4' energy: -47.612
flat angles P-C4'-P energy: -26.316
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: 3
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -287.964234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.964234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.964234 (E_RNA)
where:
Base-Base interactions energy: -110.874
where: short stacking energy: -73.828
Base-Backbone interact. energy: -0.884
local terms energy: -176.206265
where:
bonds (distance) C4'-P energy: -51.284
bonds (distance) P-C4' energy: -56.329
flat angles C4'-P-C4' energy: -37.114
flat angles P-C4'-P energy: -31.242
tors. eta vs tors. theta energy: -0.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1053.626696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.626696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.626696 (E_RNA)
where:
Base-Base interactions energy: -725.137
where: short stacking energy: -301.916
Base-Backbone interact. energy: -0.731
local terms energy: -327.758484
where:
bonds (distance) C4'-P energy: -68.222
bonds (distance) P-C4' energy: -55.296
flat angles C4'-P-C4' energy: -68.211
flat angles P-C4'-P energy: -46.571
tors. eta vs tors. theta energy: -89.459
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: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -998.963982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.963982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.963982 (E_RNA)
where:
Base-Base interactions energy: -679.237
where: short stacking energy: -283.991
Base-Backbone interact. energy: -0.568
local terms energy: -319.159062
where:
bonds (distance) C4'-P energy: -64.578
bonds (distance) P-C4' energy: -65.945
flat angles C4'-P-C4' energy: -67.540
flat angles P-C4'-P energy: -39.838
tors. eta vs tors. theta energy: -81.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -885.094976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.094976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.094976 (E_RNA)
where:
Base-Base interactions energy: -578.229
where: short stacking energy: -247.128
Base-Backbone interact. energy: -0.640
local terms energy: -306.225978
where:
bonds (distance) C4'-P energy: -57.544
bonds (distance) P-C4' energy: -69.203
flat angles C4'-P-C4' energy: -65.487
flat angles P-C4'-P energy: -43.934
tors. eta vs tors. theta energy: -70.059
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: 4, replica: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -924.524294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.524294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.524294 (E_RNA)
where:
Base-Base interactions energy: -634.820
where: short stacking energy: -274.693
Base-Backbone interact. energy: -2.258
local terms energy: -289.028676
where:
bonds (distance) C4'-P energy: -54.102
bonds (distance) P-C4' energy: -59.726
flat angles C4'-P-C4' energy: -58.587
flat angles P-C4'-P energy: -36.712
tors. eta vs tors. theta energy: -79.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.582 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -853.716495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.716495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.716495 (E_RNA)
where:
Base-Base interactions energy: -552.142
where: short stacking energy: -250.010
Base-Backbone interact. energy: -1.630
local terms energy: -299.944634
where:
bonds (distance) C4'-P energy: -60.205
bonds (distance) P-C4' energy: -60.157
flat angles C4'-P-C4' energy: -69.964
flat angles P-C4'-P energy: -34.642
tors. eta vs tors. theta energy: -74.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -707.599452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.599452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.599452 (E_RNA)
where:
Base-Base interactions energy: -441.389
where: short stacking energy: -216.893
Base-Backbone interact. energy: 3.487
local terms energy: -269.697647
where:
bonds (distance) C4'-P energy: -59.146
bonds (distance) P-C4' energy: -56.882
flat angles C4'-P-C4' energy: -71.413
flat angles P-C4'-P energy: -30.483
tors. eta vs tors. theta energy: -51.774
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: 6
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -646.770223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.770223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.770223 (E_RNA)
where:
Base-Base interactions energy: -409.854
where: short stacking energy: -183.434
Base-Backbone interact. energy: -2.630
local terms energy: -234.286118
where:
bonds (distance) C4'-P energy: -39.883
bonds (distance) P-C4' energy: -57.800
flat angles C4'-P-C4' energy: -65.167
flat angles P-C4'-P energy: -36.012
tors. eta vs tors. theta energy: -35.424
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: 8, replica: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -495.445785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.445785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.445785 (E_RNA)
where:
Base-Base interactions energy: -267.269
where: short stacking energy: -127.126
Base-Backbone interact. energy: 0.038
local terms energy: -228.215529
where:
bonds (distance) C4'-P energy: -57.981
bonds (distance) P-C4' energy: -61.302
flat angles C4'-P-C4' energy: -54.142
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -328.923436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.923436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.923436 (E_RNA)
where:
Base-Base interactions energy: -146.743
where: short stacking energy: -102.546
Base-Backbone interact. energy: -0.215
local terms energy: -181.966041
where:
bonds (distance) C4'-P energy: -52.219
bonds (distance) P-C4' energy: -54.913
flat angles C4'-P-C4' energy: -37.688
flat angles P-C4'-P energy: -28.831
tors. eta vs tors. theta energy: -8.316
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: 282
Temperature: 1.350000
Total energy: -321.448750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.448750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.448750 (E_RNA)
where:
Base-Base interactions energy: -155.425
where: short stacking energy: -77.207
Base-Backbone interact. energy: -0.818
local terms energy: -165.206482
where:
bonds (distance) C4'-P energy: -49.926
bonds (distance) P-C4' energy: -51.088
flat angles C4'-P-C4' energy: -47.256
flat angles P-C4'-P energy: -27.629
tors. eta vs tors. theta energy: 10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1071.106474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.106474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.106474 (E_RNA)
where:
Base-Base interactions energy: -741.745
where: short stacking energy: -308.800
Base-Backbone interact. energy: -2.337
local terms energy: -327.024166
where:
bonds (distance) C4'-P energy: -58.523
bonds (distance) P-C4' energy: -61.932
flat angles C4'-P-C4' energy: -75.063
flat angles P-C4'-P energy: -45.389
tors. eta vs tors. theta energy: -86.118
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: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1017.195108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.195108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.195108 (E_RNA)
where:
Base-Base interactions energy: -685.610
where: short stacking energy: -285.648
Base-Backbone interact. energy: -1.041
local terms energy: -331.168155
where:
bonds (distance) C4'-P energy: -68.684
bonds (distance) P-C4' energy: -64.279
flat angles C4'-P-C4' energy: -62.869
flat angles P-C4'-P energy: -53.462
tors. eta vs tors. theta energy: -81.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.624 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -893.516818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.516818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.516818 (E_RNA)
where:
Base-Base interactions energy: -567.309
where: short stacking energy: -238.761
Base-Backbone interact. energy: -1.088
local terms energy: -325.119745
where:
bonds (distance) C4'-P energy: -72.123
bonds (distance) P-C4' energy: -69.328
flat angles C4'-P-C4' energy: -68.248
flat angles P-C4'-P energy: -49.430
tors. eta vs tors. theta energy: -65.990
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: 283
Temperature: 1.050000
Total energy: -923.679407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.679407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.679407 (E_RNA)
where:
Base-Base interactions energy: -602.226
where: short stacking energy: -280.977
Base-Backbone interact. energy: -0.478
local terms energy: -321.625074
where:
bonds (distance) C4'-P energy: -58.446
bonds (distance) P-C4' energy: -64.665
flat angles C4'-P-C4' energy: -70.130
flat angles P-C4'-P energy: -38.884
tors. eta vs tors. theta energy: -89.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.650 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -869.385197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.385197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.385197 (E_RNA)
where:
Base-Base interactions energy: -589.272
where: short stacking energy: -249.658
Base-Backbone interact. energy: -0.209
local terms energy: -279.904233
where:
bonds (distance) C4'-P energy: -60.842
bonds (distance) P-C4' energy: -62.570
flat angles C4'-P-C4' energy: -62.432
flat angles P-C4'-P energy: -30.360
tors. eta vs tors. theta energy: -63.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -674.032621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.032621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.032621 (E_RNA)
where:
Base-Base interactions energy: -434.648
where: short stacking energy: -193.432
Base-Backbone interact. energy: -2.170
local terms energy: -237.214043
where:
bonds (distance) C4'-P energy: -41.755
bonds (distance) P-C4' energy: -63.713
flat angles C4'-P-C4' energy: -58.213
flat angles P-C4'-P energy: -33.869
tors. eta vs tors. theta energy: -39.664
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: 7, replica: 2
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -667.567162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.567162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.567162 (E_RNA)
where:
Base-Base interactions energy: -395.787
where: short stacking energy: -198.909
Base-Backbone interact. energy: -3.840
local terms energy: -267.939991
where:
bonds (distance) C4'-P energy: -56.513
bonds (distance) P-C4' energy: -62.734
flat angles C4'-P-C4' energy: -60.171
flat angles P-C4'-P energy: -40.985
tors. eta vs tors. theta energy: -47.537
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: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -480.462935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.462935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.462935 (E_RNA)
where:
Base-Base interactions energy: -275.600
where: short stacking energy: -138.213
Base-Backbone interact. energy: 0.146
local terms energy: -205.008434
where:
bonds (distance) C4'-P energy: -49.585
bonds (distance) P-C4' energy: -50.961
flat angles C4'-P-C4' energy: -50.468
flat angles P-C4'-P energy: -27.212
tors. eta vs tors. theta energy: -26.782
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: 9, replica: 3
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -358.210009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.210009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.210009 (E_RNA)
where:
Base-Base interactions energy: -161.044
where: short stacking energy: -100.240
Base-Backbone interact. energy: -0.056
local terms energy: -197.110469
where:
bonds (distance) C4'-P energy: -48.548
bonds (distance) P-C4' energy: -63.890
flat angles C4'-P-C4' energy: -46.807
flat angles P-C4'-P energy: -39.986
tors. eta vs tors. theta energy: 2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -360.464705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.464705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.464705 (E_RNA)
where:
Base-Base interactions energy: -179.409
where: short stacking energy: -103.356
Base-Backbone interact. energy: 1.138
local terms energy: -182.193633
where:
bonds (distance) C4'-P energy: -49.720
bonds (distance) P-C4' energy: -57.189
flat angles C4'-P-C4' energy: -50.572
flat angles P-C4'-P energy: -27.858
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: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1060.747975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.747975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.747975 (E_RNA)
where:
Base-Base interactions energy: -725.814
where: short stacking energy: -324.295
Base-Backbone interact. energy: -1.773
local terms energy: -333.239810
where:
bonds (distance) C4'-P energy: -53.749
bonds (distance) P-C4' energy: -73.398
flat angles C4'-P-C4' energy: -69.481
flat angles P-C4'-P energy: -53.970
tors. eta vs tors. theta energy: -82.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.079 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -983.919029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.919029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.919029 (E_RNA)
where:
Base-Base interactions energy: -659.844
where: short stacking energy: -265.482
Base-Backbone interact. energy: -3.317
local terms energy: -320.758324
where:
bonds (distance) C4'-P energy: -63.380
bonds (distance) P-C4' energy: -63.636
flat angles C4'-P-C4' energy: -69.153
flat angles P-C4'-P energy: -46.930
tors. eta vs tors. theta energy: -77.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -913.371676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.371676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.371676 (E_RNA)
where:
Base-Base interactions energy: -613.011
where: short stacking energy: -266.042
Base-Backbone interact. energy: -2.151
local terms energy: -298.209694
where:
bonds (distance) C4'-P energy: -59.564
bonds (distance) P-C4' energy: -61.888
flat angles C4'-P-C4' energy: -59.998
flat angles P-C4'-P energy: -46.131
tors. eta vs tors. theta energy: -70.629
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: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -902.519908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.519908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.519908 (E_RNA)
where:
Base-Base interactions energy: -597.759
where: short stacking energy: -279.297
Base-Backbone interact. energy: -0.024
local terms energy: -304.737009
where:
bonds (distance) C4'-P energy: -54.809
bonds (distance) P-C4' energy: -57.140
flat angles C4'-P-C4' energy: -68.104
flat angles P-C4'-P energy: -45.544
tors. eta vs tors. theta energy: -79.140
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: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -882.601673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.601673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.601673 (E_RNA)
where:
Base-Base interactions energy: -604.233
where: short stacking energy: -266.284
Base-Backbone interact. energy: -1.487
local terms energy: -276.881013
where:
bonds (distance) C4'-P energy: -50.801
bonds (distance) P-C4' energy: -56.992
flat angles C4'-P-C4' energy: -60.513
flat angles P-C4'-P energy: -43.613
tors. eta vs tors. theta energy: -64.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -671.437010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.437010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.437010 (E_RNA)
where:
Base-Base interactions energy: -417.934
where: short stacking energy: -196.928
Base-Backbone interact. energy: -2.335
local terms energy: -251.693004
where:
bonds (distance) C4'-P energy: -59.468
bonds (distance) P-C4' energy: -55.269
flat angles C4'-P-C4' energy: -54.285
flat angles P-C4'-P energy: -38.089
tors. eta vs tors. theta energy: -44.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.525 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -660.699500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.699500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.699500 (E_RNA)
where:
Base-Base interactions energy: -413.386
where: short stacking energy: -215.152
Base-Backbone interact. energy: 2.376
local terms energy: -249.689631
where:
bonds (distance) C4'-P energy: -47.683
bonds (distance) P-C4' energy: -58.028
flat angles C4'-P-C4' energy: -59.961
flat angles P-C4'-P energy: -33.707
tors. eta vs tors. theta energy: -50.311
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: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -483.436221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.436221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.436221 (E_RNA)
where:
Base-Base interactions energy: -263.481
where: short stacking energy: -145.554
Base-Backbone interact. energy: 0.751
local terms energy: -220.706142
where:
bonds (distance) C4'-P energy: -46.426
bonds (distance) P-C4' energy: -59.511
flat angles C4'-P-C4' energy: -63.231
flat angles P-C4'-P energy: -28.286
tors. eta vs tors. theta energy: -23.252
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: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -344.670100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.670100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.670100 (E_RNA)
where:
Base-Base interactions energy: -156.581
where: short stacking energy: -106.077
Base-Backbone interact. energy: -0.585
local terms energy: -187.504390
where:
bonds (distance) C4'-P energy: -49.050
bonds (distance) P-C4' energy: -54.832
flat angles C4'-P-C4' energy: -47.775
flat angles P-C4'-P energy: -32.665
tors. eta vs tors. theta energy: -3.182
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: 284
Temperature: 1.350000
Total energy: -323.454952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.454952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.454952 (E_RNA)
where:
Base-Base interactions energy: -170.022
where: short stacking energy: -97.210
Base-Backbone interact. energy: -1.095
local terms energy: -152.337357
where:
bonds (distance) C4'-P energy: -57.445
bonds (distance) P-C4' energy: -54.099
flat angles C4'-P-C4' energy: -37.766
flat angles P-C4'-P energy: -17.609
tors. eta vs tors. theta energy: 14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1060.646760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.646760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.646760 (E_RNA)
where:
Base-Base interactions energy: -710.805
where: short stacking energy: -322.080
Base-Backbone interact. energy: -3.037
local terms energy: -346.804842
where:
bonds (distance) C4'-P energy: -60.930
bonds (distance) P-C4' energy: -71.766
flat angles C4'-P-C4' energy: -75.037
flat angles P-C4'-P energy: -54.132
tors. eta vs tors. theta energy: -84.940
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: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -990.274132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.274132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.274132 (E_RNA)
where:
Base-Base interactions energy: -661.667
where: short stacking energy: -303.040
Base-Backbone interact. energy: -5.630
local terms energy: -322.977075
where:
bonds (distance) C4'-P energy: -56.025
bonds (distance) P-C4' energy: -62.393
flat angles C4'-P-C4' energy: -75.768
flat angles P-C4'-P energy: -43.886
tors. eta vs tors. theta energy: -84.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -925.569555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.569555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.569555 (E_RNA)
where:
Base-Base interactions energy: -594.739
where: short stacking energy: -260.533
Base-Backbone interact. energy: -0.573
local terms energy: -330.257353
where:
bonds (distance) C4'-P energy: -69.584
bonds (distance) P-C4' energy: -65.551
flat angles C4'-P-C4' energy: -73.360
flat angles P-C4'-P energy: -43.989
tors. eta vs tors. theta energy: -77.774
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: 4, replica: 9
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -892.464994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.464994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.464994 (E_RNA)
where:
Base-Base interactions energy: -595.251
where: short stacking energy: -246.397
Base-Backbone interact. energy: 0.863
local terms energy: -298.077434
where:
bonds (distance) C4'-P energy: -60.706
bonds (distance) P-C4' energy: -60.746
flat angles C4'-P-C4' energy: -65.213
flat angles P-C4'-P energy: -36.157
tors. eta vs tors. theta energy: -75.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -862.463302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.463302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.463302 (E_RNA)
where:
Base-Base interactions energy: -557.750
where: short stacking energy: -255.480
Base-Backbone interact. energy: 0.767
local terms energy: -305.480347
where:
bonds (distance) C4'-P energy: -68.655
bonds (distance) P-C4' energy: -67.703
flat angles C4'-P-C4' energy: -60.604
flat angles P-C4'-P energy: -33.048
tors. eta vs tors. theta energy: -75.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -630.054294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.054294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.054294 (E_RNA)
where:
Base-Base interactions energy: -389.250
where: short stacking energy: -176.593
Base-Backbone interact. energy: 0.209
local terms energy: -241.012651
where:
bonds (distance) C4'-P energy: -49.878
bonds (distance) P-C4' energy: -68.270
flat angles C4'-P-C4' energy: -56.701
flat angles P-C4'-P energy: -35.289
tors. eta vs tors. theta energy: -30.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -657.826589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.826589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.826589 (E_RNA)
where:
Base-Base interactions energy: -384.604
where: short stacking energy: -189.242
Base-Backbone interact. energy: 2.765
local terms energy: -275.987225
where:
bonds (distance) C4'-P energy: -57.106
bonds (distance) P-C4' energy: -61.195
flat angles C4'-P-C4' energy: -68.069
flat angles P-C4'-P energy: -44.417
tors. eta vs tors. theta energy: -45.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -491.626586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.626586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.626586 (E_RNA)
where:
Base-Base interactions energy: -285.578
where: short stacking energy: -137.253
Base-Backbone interact. energy: -1.001
local terms energy: -205.366478
where:
bonds (distance) C4'-P energy: -46.946
bonds (distance) P-C4' energy: -56.333
flat angles C4'-P-C4' energy: -46.062
flat angles P-C4'-P energy: -37.033
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.318 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -352.129395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.129395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.129395 (E_RNA)
where:
Base-Base interactions energy: -147.175
where: short stacking energy: -95.341
Base-Backbone interact. energy: 0.538
local terms energy: -205.492497
where:
bonds (distance) C4'-P energy: -60.618
bonds (distance) P-C4' energy: -49.178
flat angles C4'-P-C4' energy: -46.673
flat angles P-C4'-P energy: -47.583
tors. eta vs tors. theta energy: -1.440
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: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -318.464899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.464899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.464899 (E_RNA)
where:
Base-Base interactions energy: -147.253
where: short stacking energy: -98.826
Base-Backbone interact. energy: 2.035
local terms energy: -173.247556
where:
bonds (distance) C4'-P energy: -49.478
bonds (distance) P-C4' energy: -56.928
flat angles C4'-P-C4' energy: -36.929
flat angles P-C4'-P energy: -32.743
tors. eta vs tors. theta energy: 2.831
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: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1044.807341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.807341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.807341 (E_RNA)
where:
Base-Base interactions energy: -707.426
where: short stacking energy: -310.506
Base-Backbone interact. energy: -3.906
local terms energy: -334.419991
where:
bonds (distance) C4'-P energy: -63.329
bonds (distance) P-C4' energy: -48.403
flat angles C4'-P-C4' energy: -73.850
flat angles P-C4'-P energy: -57.161
tors. eta vs tors. theta energy: -91.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.944 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1023.180903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.180903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.180903 (E_RNA)
where:
Base-Base interactions energy: -691.637
where: short stacking energy: -301.710
Base-Backbone interact. energy: -1.883
local terms energy: -329.661267
where:
bonds (distance) C4'-P energy: -61.575
bonds (distance) P-C4' energy: -64.565
flat angles C4'-P-C4' energy: -68.846
flat angles P-C4'-P energy: -50.107
tors. eta vs tors. theta energy: -84.568
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: 3, replica: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -978.578965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.578965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.578965 (E_RNA)
where:
Base-Base interactions energy: -674.603
where: short stacking energy: -296.875
Base-Backbone interact. energy: -0.667
local terms energy: -303.309439
where:
bonds (distance) C4'-P energy: -54.696
bonds (distance) P-C4' energy: -66.569
flat angles C4'-P-C4' energy: -58.699
flat angles P-C4'-P energy: -45.120
tors. eta vs tors. theta energy: -78.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -879.006491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.006491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.006491 (E_RNA)
where:
Base-Base interactions energy: -574.687
where: short stacking energy: -277.410
Base-Backbone interact. energy: -1.334
local terms energy: -302.985497
where:
bonds (distance) C4'-P energy: -63.918
bonds (distance) P-C4' energy: -56.676
flat angles C4'-P-C4' energy: -69.136
flat angles P-C4'-P energy: -39.758
tors. eta vs tors. theta energy: -73.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -879.057062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.057062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.057062 (E_RNA)
where:
Base-Base interactions energy: -584.277
where: short stacking energy: -256.862
Base-Backbone interact. energy: -0.800
local terms energy: -293.980479
where:
bonds (distance) C4'-P energy: -56.512
bonds (distance) P-C4' energy: -66.877
flat angles C4'-P-C4' energy: -55.637
flat angles P-C4'-P energy: -42.024
tors. eta vs tors. theta energy: -72.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -643.519839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.519839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.519839 (E_RNA)
where:
Base-Base interactions energy: -382.112
where: short stacking energy: -186.932
Base-Backbone interact. energy: 0.061
local terms energy: -261.469229
where:
bonds (distance) C4'-P energy: -56.470
bonds (distance) P-C4' energy: -65.316
flat angles C4'-P-C4' energy: -61.485
flat angles P-C4'-P energy: -52.491
tors. eta vs tors. theta energy: -25.707
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: 2
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -630.173927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.173927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.173927 (E_RNA)
where:
Base-Base interactions energy: -390.051
where: short stacking energy: -189.105
Base-Backbone interact. energy: -4.037
local terms energy: -236.086689
where:
bonds (distance) C4'-P energy: -49.562
bonds (distance) P-C4' energy: -41.158
flat angles C4'-P-C4' energy: -59.713
flat angles P-C4'-P energy: -46.529
tors. eta vs tors. theta energy: -39.125
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: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -525.451646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.451646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.451646 (E_RNA)
where:
Base-Base interactions energy: -284.137
where: short stacking energy: -153.323
Base-Backbone interact. energy: -1.191
local terms energy: -240.123317
where:
bonds (distance) C4'-P energy: -59.622
bonds (distance) P-C4' energy: -59.379
flat angles C4'-P-C4' energy: -53.006
flat angles P-C4'-P energy: -37.125
tors. eta vs tors. theta energy: -30.992
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: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -342.945234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.945234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.945234 (E_RNA)
where:
Base-Base interactions energy: -180.046
where: short stacking energy: -107.531
Base-Backbone interact. energy: -0.366
local terms energy: -162.533274
where:
bonds (distance) C4'-P energy: -48.610
bonds (distance) P-C4' energy: -57.532
flat angles C4'-P-C4' energy: -39.598
flat angles P-C4'-P energy: -26.631
tors. eta vs tors. theta energy: 9.838
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: 10, replica: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -328.460794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.460794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.460794 (E_RNA)
where:
Base-Base interactions energy: -167.515
where: short stacking energy: -105.495
Base-Backbone interact. energy: 3.081
local terms energy: -164.026492
where:
bonds (distance) C4'-P energy: -50.930
bonds (distance) P-C4' energy: -50.026
flat angles C4'-P-C4' energy: -47.799
flat angles P-C4'-P energy: -22.475
tors. eta vs tors. theta energy: 7.203
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: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1053.145321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.145321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.145321 (E_RNA)
where:
Base-Base interactions energy: -725.169
where: short stacking energy: -313.363
Base-Backbone interact. energy: -1.092
local terms energy: -326.973987
where:
bonds (distance) C4'-P energy: -60.904
bonds (distance) P-C4' energy: -59.684
flat angles C4'-P-C4' energy: -73.480
flat angles P-C4'-P energy: -51.776
tors. eta vs tors. theta energy: -81.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.089 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1000.577685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.577685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.577685 (E_RNA)
where:
Base-Base interactions energy: -666.691
where: short stacking energy: -301.232
Base-Backbone interact. energy: 0.312
local terms energy: -334.198673
where:
bonds (distance) C4'-P energy: -69.698
bonds (distance) P-C4' energy: -69.022
flat angles C4'-P-C4' energy: -63.633
flat angles P-C4'-P energy: -51.267
tors. eta vs tors. theta energy: -80.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -947.287127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.287127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.287127 (E_RNA)
where:
Base-Base interactions energy: -656.325
where: short stacking energy: -266.969
Base-Backbone interact. energy: -1.666
local terms energy: -289.296288
where:
bonds (distance) C4'-P energy: -55.368
bonds (distance) P-C4' energy: -62.321
flat angles C4'-P-C4' energy: -60.193
flat angles P-C4'-P energy: -39.535
tors. eta vs tors. theta energy: -71.880
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: 4, replica: 10
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -884.332573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.332573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.332573 (E_RNA)
where:
Base-Base interactions energy: -586.161
where: short stacking energy: -258.511
Base-Backbone interact. energy: -0.685
local terms energy: -297.487011
where:
bonds (distance) C4'-P energy: -46.616
bonds (distance) P-C4' energy: -63.955
flat angles C4'-P-C4' energy: -65.086
flat angles P-C4'-P energy: -47.126
tors. eta vs tors. theta energy: -74.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -860.909026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.909026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.909026 (E_RNA)
where:
Base-Base interactions energy: -565.189
where: short stacking energy: -271.079
Base-Backbone interact. energy: -1.180
local terms energy: -294.540421
where:
bonds (distance) C4'-P energy: -56.044
bonds (distance) P-C4' energy: -66.535
flat angles C4'-P-C4' energy: -59.549
flat angles P-C4'-P energy: -39.814
tors. eta vs tors. theta energy: -72.599
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: 2
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -680.467819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.467819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.467819 (E_RNA)
where:
Base-Base interactions energy: -428.160
where: short stacking energy: -211.182
Base-Backbone interact. energy: 2.629
local terms energy: -254.936573
where:
bonds (distance) C4'-P energy: -39.654
bonds (distance) P-C4' energy: -65.285
flat angles C4'-P-C4' energy: -65.832
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: -45.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -641.345059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.345059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.345059 (E_RNA)
where:
Base-Base interactions energy: -392.512
where: short stacking energy: -184.529
Base-Backbone interact. energy: -2.206
local terms energy: -246.627738
where:
bonds (distance) C4'-P energy: -57.570
bonds (distance) P-C4' energy: -61.878
flat angles C4'-P-C4' energy: -59.798
flat angles P-C4'-P energy: -32.425
tors. eta vs tors. theta energy: -34.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -518.546353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.546353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.546353 (E_RNA)
where:
Base-Base interactions energy: -305.696
where: short stacking energy: -138.142
Base-Backbone interact. energy: 0.881
local terms energy: -213.731851
where:
bonds (distance) C4'-P energy: -45.462
bonds (distance) P-C4' energy: -58.428
flat angles C4'-P-C4' energy: -54.103
flat angles P-C4'-P energy: -36.460
tors. eta vs tors. theta energy: -19.279
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: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -353.229452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.229452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.229452 (E_RNA)
where:
Base-Base interactions energy: -156.862
where: short stacking energy: -100.200
Base-Backbone interact. energy: 2.213
local terms energy: -200.663642
where:
bonds (distance) C4'-P energy: -48.793
bonds (distance) P-C4' energy: -50.434
flat angles C4'-P-C4' energy: -54.428
flat angles P-C4'-P energy: -36.639
tors. eta vs tors. theta energy: -10.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.083 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -391.401844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.401844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.401844 (E_RNA)
where:
Base-Base interactions energy: -184.313
where: short stacking energy: -105.694
Base-Backbone interact. energy: -0.634
local terms energy: -206.454847
where:
bonds (distance) C4'-P energy: -57.628
bonds (distance) P-C4' energy: -60.632
flat angles C4'-P-C4' energy: -49.619
flat angles P-C4'-P energy: -31.329
tors. eta vs tors. theta energy: -7.248
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: 8
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1059.289970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.289970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.289970 (E_RNA)
where:
Base-Base interactions energy: -724.415
where: short stacking energy: -303.762
Base-Backbone interact. energy: -2.133
local terms energy: -332.741519
where:
bonds (distance) C4'-P energy: -62.405
bonds (distance) P-C4' energy: -55.529
flat angles C4'-P-C4' energy: -74.587
flat angles P-C4'-P energy: -54.423
tors. eta vs tors. theta energy: -85.797
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: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1001.032182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.032182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.032182 (E_RNA)
where:
Base-Base interactions energy: -679.659
where: short stacking energy: -299.861
Base-Backbone interact. energy: 1.313
local terms energy: -322.686134
where:
bonds (distance) C4'-P energy: -58.327
bonds (distance) P-C4' energy: -64.584
flat angles C4'-P-C4' energy: -69.578
flat angles P-C4'-P energy: -48.603
tors. eta vs tors. theta energy: -81.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -948.319128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.319128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.319128 (E_RNA)
where:
Base-Base interactions energy: -654.718
where: short stacking energy: -259.725
Base-Backbone interact. energy: -3.954
local terms energy: -289.647557
where:
bonds (distance) C4'-P energy: -48.184
bonds (distance) P-C4' energy: -64.819
flat angles C4'-P-C4' energy: -68.504
flat angles P-C4'-P energy: -35.179
tors. eta vs tors. theta energy: -72.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -891.980145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.980145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.980145 (E_RNA)
where:
Base-Base interactions energy: -590.030
where: short stacking energy: -263.466
Base-Backbone interact. energy: -0.611
local terms energy: -301.339029
where:
bonds (distance) C4'-P energy: -61.240
bonds (distance) P-C4' energy: -64.400
flat angles C4'-P-C4' energy: -60.737
flat angles P-C4'-P energy: -41.270
tors. eta vs tors. theta energy: -73.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -823.252652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.252652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.252652 (E_RNA)
where:
Base-Base interactions energy: -541.631
where: short stacking energy: -255.734
Base-Backbone interact. energy: 0.658
local terms energy: -282.280155
where:
bonds (distance) C4'-P energy: -49.005
bonds (distance) P-C4' energy: -62.810
flat angles C4'-P-C4' energy: -58.659
flat angles P-C4'-P energy: -36.872
tors. eta vs tors. theta energy: -74.934
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: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -719.856228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.856228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.856228 (E_RNA)
where:
Base-Base interactions energy: -457.001
where: short stacking energy: -228.561
Base-Backbone interact. energy: 6.538
local terms energy: -269.393347
where:
bonds (distance) C4'-P energy: -53.727
bonds (distance) P-C4' energy: -54.305
flat angles C4'-P-C4' energy: -63.007
flat angles P-C4'-P energy: -43.112
tors. eta vs tors. theta energy: -55.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -519.627743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.627743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.627743 (E_RNA)
where:
Base-Base interactions energy: -302.379
where: short stacking energy: -147.796
Base-Backbone interact. energy: 3.532
local terms energy: -220.781057
where:
bonds (distance) C4'-P energy: -58.809
bonds (distance) P-C4' energy: -47.826
flat angles C4'-P-C4' energy: -69.325
flat angles P-C4'-P energy: -37.752
tors. eta vs tors. theta energy: -7.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -553.951630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.951630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.951630 (E_RNA)
where:
Base-Base interactions energy: -316.686
where: short stacking energy: -157.877
Base-Backbone interact. energy: 0.194
local terms energy: -237.516357
where:
bonds (distance) C4'-P energy: -53.107
bonds (distance) P-C4' energy: -44.928
flat angles C4'-P-C4' energy: -61.984
flat angles P-C4'-P energy: -45.623
tors. eta vs tors. theta energy: -31.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.056 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -388.349301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.349301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.349301 (E_RNA)
where:
Base-Base interactions energy: -175.679
where: short stacking energy: -107.244
Base-Backbone interact. energy: -1.132
local terms energy: -211.538604
where:
bonds (distance) C4'-P energy: -57.486
bonds (distance) P-C4' energy: -57.921
flat angles C4'-P-C4' energy: -55.025
flat angles P-C4'-P energy: -35.379
tors. eta vs tors. theta energy: -5.727
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: 288
Temperature: 1.350000
Total energy: -328.008044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.008044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.008044 (E_RNA)
where:
Base-Base interactions energy: -143.424
where: short stacking energy: -87.165
Base-Backbone interact. energy: 0.161
local terms energy: -184.744791
where:
bonds (distance) C4'-P energy: -49.401
bonds (distance) P-C4' energy: -63.759
flat angles C4'-P-C4' energy: -49.324
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -3.197
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: 8
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1078.205571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.205571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.205571 (E_RNA)
where:
Base-Base interactions energy: -729.227
where: short stacking energy: -313.923
Base-Backbone interact. energy: -1.190
local terms energy: -347.789075
where:
bonds (distance) C4'-P energy: -68.008
bonds (distance) P-C4' energy: -68.119
flat angles C4'-P-C4' energy: -67.200
flat angles P-C4'-P energy: -52.080
tors. eta vs tors. theta energy: -92.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1012.481123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.481123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.481123 (E_RNA)
where:
Base-Base interactions energy: -688.114
where: short stacking energy: -298.172
Base-Backbone interact. energy: 0.357
local terms energy: -324.724095
where:
bonds (distance) C4'-P energy: -64.901
bonds (distance) P-C4' energy: -60.368
flat angles C4'-P-C4' energy: -69.087
flat angles P-C4'-P energy: -51.890
tors. eta vs tors. theta energy: -78.478
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: 9
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -951.533478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.533478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.533478 (E_RNA)
where:
Base-Base interactions energy: -632.409
where: short stacking energy: -268.655
Base-Backbone interact. energy: 0.032
local terms energy: -319.155979
where:
bonds (distance) C4'-P energy: -64.696
bonds (distance) P-C4' energy: -63.389
flat angles C4'-P-C4' energy: -71.151
flat angles P-C4'-P energy: -42.499
tors. eta vs tors. theta energy: -77.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -896.254397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.254397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.254397 (E_RNA)
where:
Base-Base interactions energy: -586.616
where: short stacking energy: -271.511
Base-Backbone interact. energy: 0.912
local terms energy: -310.550567
where:
bonds (distance) C4'-P energy: -59.562
bonds (distance) P-C4' energy: -60.804
flat angles C4'-P-C4' energy: -65.476
flat angles P-C4'-P energy: -43.335
tors. eta vs tors. theta energy: -81.374
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: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -862.748261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.748261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.748261 (E_RNA)
where:
Base-Base interactions energy: -571.618
where: short stacking energy: -249.191
Base-Backbone interact. energy: -0.018
local terms energy: -291.112139
where:
bonds (distance) C4'-P energy: -51.300
bonds (distance) P-C4' energy: -55.092
flat angles C4'-P-C4' energy: -72.310
flat angles P-C4'-P energy: -36.382
tors. eta vs tors. theta energy: -76.027
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: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -728.216344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.216344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.216344 (E_RNA)
where:
Base-Base interactions energy: -459.916
where: short stacking energy: -214.613
Base-Backbone interact. energy: 0.457
local terms energy: -268.757322
where:
bonds (distance) C4'-P energy: -60.571
bonds (distance) P-C4' energy: -58.871
flat angles C4'-P-C4' energy: -57.930
flat angles P-C4'-P energy: -37.571
tors. eta vs tors. theta energy: -53.814
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: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -535.958772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.958772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.958772 (E_RNA)
where:
Base-Base interactions energy: -313.198
where: short stacking energy: -150.344
Base-Backbone interact. energy: -1.075
local terms energy: -221.685763
where:
bonds (distance) C4'-P energy: -61.133
bonds (distance) P-C4' energy: -54.700
flat angles C4'-P-C4' energy: -57.327
flat angles P-C4'-P energy: -25.907
tors. eta vs tors. theta energy: -22.619
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: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -550.965232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.965232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.965232 (E_RNA)
where:
Base-Base interactions energy: -321.687
where: short stacking energy: -157.439
Base-Backbone interact. energy: -1.818
local terms energy: -227.460657
where:
bonds (distance) C4'-P energy: -56.315
bonds (distance) P-C4' energy: -59.210
flat angles C4'-P-C4' energy: -54.495
flat angles P-C4'-P energy: -25.414
tors. eta vs tors. theta energy: -32.025
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: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -405.569034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.569034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.569034 (E_RNA)
where:
Base-Base interactions energy: -204.446
where: short stacking energy: -118.013
Base-Backbone interact. energy: 1.954
local terms energy: -203.076603
where:
bonds (distance) C4'-P energy: -60.361
bonds (distance) P-C4' energy: -52.412
flat angles C4'-P-C4' energy: -40.329
flat angles P-C4'-P energy: -36.415
tors. eta vs tors. theta energy: -13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -322.942638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.942638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.942638 (E_RNA)
where:
Base-Base interactions energy: -157.721
where: short stacking energy: -105.746
Base-Backbone interact. energy: 9.089
local terms energy: -174.310144
where:
bonds (distance) C4'-P energy: -60.308
bonds (distance) P-C4' energy: -60.585
flat angles C4'-P-C4' energy: -31.321
flat angles P-C4'-P energy: -29.930
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: 1, replica: 8
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1060.615934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.615934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.615934 (E_RNA)
where:
Base-Base interactions energy: -710.973
where: short stacking energy: -309.012
Base-Backbone interact. energy: -2.171
local terms energy: -347.471219
where:
bonds (distance) C4'-P energy: -58.881
bonds (distance) P-C4' energy: -76.136
flat angles C4'-P-C4' energy: -76.955
flat angles P-C4'-P energy: -47.946
tors. eta vs tors. theta energy: -87.553
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: 4
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -987.109067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.109067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.109067 (E_RNA)
where:
Base-Base interactions energy: -671.278
where: short stacking energy: -285.153
Base-Backbone interact. energy: 0.314
local terms energy: -316.145488
where:
bonds (distance) C4'-P energy: -57.540
bonds (distance) P-C4' energy: -49.455
flat angles C4'-P-C4' energy: -72.531
flat angles P-C4'-P energy: -58.128
tors. eta vs tors. theta energy: -78.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -950.091628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.091628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.091628 (E_RNA)
where:
Base-Base interactions energy: -624.844
where: short stacking energy: -266.777
Base-Backbone interact. energy: -1.719
local terms energy: -323.528465
where:
bonds (distance) C4'-P energy: -67.921
bonds (distance) P-C4' energy: -71.046
flat angles C4'-P-C4' energy: -66.574
flat angles P-C4'-P energy: -40.235
tors. eta vs tors. theta energy: -77.753
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: 4, replica: 10
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -896.018457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.018457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.018457 (E_RNA)
where:
Base-Base interactions energy: -580.148
where: short stacking energy: -261.984
Base-Backbone interact. energy: -1.147
local terms energy: -314.723655
where:
bonds (distance) C4'-P energy: -64.663
bonds (distance) P-C4' energy: -58.918
flat angles C4'-P-C4' energy: -70.878
flat angles P-C4'-P energy: -43.552
tors. eta vs tors. theta energy: -76.713
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: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -854.610073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.610073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.610073 (E_RNA)
where:
Base-Base interactions energy: -559.573
where: short stacking energy: -249.309
Base-Backbone interact. energy: 1.000
local terms energy: -296.036606
where:
bonds (distance) C4'-P energy: -52.777
bonds (distance) P-C4' energy: -57.729
flat angles C4'-P-C4' energy: -73.186
flat angles P-C4'-P energy: -39.069
tors. eta vs tors. theta energy: -73.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -742.226021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.226021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.226021 (E_RNA)
where:
Base-Base interactions energy: -462.511
where: short stacking energy: -210.744
Base-Backbone interact. energy: 1.247
local terms energy: -280.962083
where:
bonds (distance) C4'-P energy: -57.956
bonds (distance) P-C4' energy: -66.792
flat angles C4'-P-C4' energy: -59.392
flat angles P-C4'-P energy: -40.371
tors. eta vs tors. theta energy: -56.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -607.736986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.736986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.736986 (E_RNA)
where:
Base-Base interactions energy: -370.697
where: short stacking energy: -195.737
Base-Backbone interact. energy: -1.812
local terms energy: -235.228890
where:
bonds (distance) C4'-P energy: -60.341
bonds (distance) P-C4' energy: -48.382
flat angles C4'-P-C4' energy: -52.789
flat angles P-C4'-P energy: -30.226
tors. eta vs tors. theta energy: -43.491
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: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -483.502314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.502314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.502314 (E_RNA)
where:
Base-Base interactions energy: -283.769
where: short stacking energy: -145.218
Base-Backbone interact. energy: -2.820
local terms energy: -196.913419
where:
bonds (distance) C4'-P energy: -57.947
bonds (distance) P-C4' energy: -50.076
flat angles C4'-P-C4' energy: -52.832
flat angles P-C4'-P energy: -22.460
tors. eta vs tors. theta energy: -13.599
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: 3
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -387.806554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.806554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.806554 (E_RNA)
where:
Base-Base interactions energy: -205.140
where: short stacking energy: -107.978
Base-Backbone interact. energy: -1.775
local terms energy: -180.891190
where:
bonds (distance) C4'-P energy: -35.409
bonds (distance) P-C4' energy: -61.429
flat angles C4'-P-C4' energy: -58.327
flat angles P-C4'-P energy: -28.997
tors. eta vs tors. theta energy: 3.271
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: 290
Temperature: 1.350000
Total energy: -353.892880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.892880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.892880 (E_RNA)
where:
Base-Base interactions energy: -167.124
where: short stacking energy: -108.169
Base-Backbone interact. energy: 3.034
local terms energy: -189.803743
where:
bonds (distance) C4'-P energy: -60.371
bonds (distance) P-C4' energy: -55.365
flat angles C4'-P-C4' energy: -40.105
flat angles P-C4'-P energy: -32.079
tors. eta vs tors. theta energy: -1.884
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: 1, replica: 8
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1054.531953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.531953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.531953 (E_RNA)
where:
Base-Base interactions energy: -715.491
where: short stacking energy: -298.011
Base-Backbone interact. energy: -2.136
local terms energy: -336.905368
where:
bonds (distance) C4'-P energy: -64.548
bonds (distance) P-C4' energy: -70.530
flat angles C4'-P-C4' energy: -71.572
flat angles P-C4'-P energy: -48.745
tors. eta vs tors. theta energy: -81.511
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: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1030.341010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.341010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.341010 (E_RNA)
where:
Base-Base interactions energy: -701.791
where: short stacking energy: -296.547
Base-Backbone interact. energy: -6.698
local terms energy: -321.852368
where:
bonds (distance) C4'-P energy: -63.965
bonds (distance) P-C4' energy: -61.934
flat angles C4'-P-C4' energy: -71.241
flat angles P-C4'-P energy: -46.336
tors. eta vs tors. theta energy: -78.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -943.907094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.907094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.907094 (E_RNA)
where:
Base-Base interactions energy: -624.396
where: short stacking energy: -271.193
Base-Backbone interact. energy: -2.855
local terms energy: -316.656265
where:
bonds (distance) C4'-P energy: -52.271
bonds (distance) P-C4' energy: -68.049
flat angles C4'-P-C4' energy: -74.164
flat angles P-C4'-P energy: -40.252
tors. eta vs tors. theta energy: -81.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -903.154109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.154109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.154109 (E_RNA)
where:
Base-Base interactions energy: -583.163
where: short stacking energy: -262.566
Base-Backbone interact. energy: -0.892
local terms energy: -319.099490
where:
bonds (distance) C4'-P energy: -58.907
bonds (distance) P-C4' energy: -67.296
flat angles C4'-P-C4' energy: -71.603
flat angles P-C4'-P energy: -41.897
tors. eta vs tors. theta energy: -79.396
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: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -833.680998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.680998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.680998 (E_RNA)
where:
Base-Base interactions energy: -544.301
where: short stacking energy: -243.523
Base-Backbone interact. energy: -1.065
local terms energy: -288.314123
where:
bonds (distance) C4'-P energy: -59.445
bonds (distance) P-C4' energy: -57.799
flat angles C4'-P-C4' energy: -66.428
flat angles P-C4'-P energy: -47.615
tors. eta vs tors. theta energy: -57.027
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: 2
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -742.518845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.518845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.518845 (E_RNA)
where:
Base-Base interactions energy: -456.042
where: short stacking energy: -217.403
Base-Backbone interact. energy: -2.680
local terms energy: -283.796395
where:
bonds (distance) C4'-P energy: -61.026
bonds (distance) P-C4' energy: -62.402
flat angles C4'-P-C4' energy: -64.133
flat angles P-C4'-P energy: -37.897
tors. eta vs tors. theta energy: -58.337
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: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -607.789175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.789175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.789175 (E_RNA)
where:
Base-Base interactions energy: -358.677
where: short stacking energy: -155.319
Base-Backbone interact. energy: -2.037
local terms energy: -247.075113
where:
bonds (distance) C4'-P energy: -63.437
bonds (distance) P-C4' energy: -56.585
flat angles C4'-P-C4' energy: -59.150
flat angles P-C4'-P energy: -34.052
tors. eta vs tors. theta energy: -33.851
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: 8, replica: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -551.374131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.374131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.374131 (E_RNA)
where:
Base-Base interactions energy: -334.000
where: short stacking energy: -166.334
Base-Backbone interact. energy: -0.942
local terms energy: -216.432387
where:
bonds (distance) C4'-P energy: -47.264
bonds (distance) P-C4' energy: -54.073
flat angles C4'-P-C4' energy: -55.937
flat angles P-C4'-P energy: -32.555
tors. eta vs tors. theta energy: -26.604
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: 9, replica: 3
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -354.485059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.485059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.485059 (E_RNA)
where:
Base-Base interactions energy: -174.614
where: short stacking energy: -97.065
Base-Backbone interact. energy: -3.220
local terms energy: -176.650915
where:
bonds (distance) C4'-P energy: -46.745
bonds (distance) P-C4' energy: -51.709
flat angles C4'-P-C4' energy: -52.948
flat angles P-C4'-P energy: -31.513
tors. eta vs tors. theta energy: 6.264
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: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -346.370495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.370495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.370495 (E_RNA)
where:
Base-Base interactions energy: -177.015
where: short stacking energy: -86.685
Base-Backbone interact. energy: 4.228
local terms energy: -173.583811
where:
bonds (distance) C4'-P energy: -42.663
bonds (distance) P-C4' energy: -62.560
flat angles C4'-P-C4' energy: -50.552
flat angles P-C4'-P energy: -26.525
tors. eta vs tors. theta energy: 8.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1061.397638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.397638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.397638 (E_RNA)
where:
Base-Base interactions energy: -712.595
where: short stacking energy: -314.768
Base-Backbone interact. energy: 0.626
local terms energy: -349.428435
where:
bonds (distance) C4'-P energy: -68.458
bonds (distance) P-C4' energy: -60.737
flat angles C4'-P-C4' energy: -78.540
flat angles P-C4'-P energy: -53.488
tors. eta vs tors. theta energy: -88.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1033.320599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.320599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.320599 (E_RNA)
where:
Base-Base interactions energy: -706.133
where: short stacking energy: -270.872
Base-Backbone interact. energy: -1.680
local terms energy: -325.507559
where:
bonds (distance) C4'-P energy: -63.988
bonds (distance) P-C4' energy: -70.290
flat angles C4'-P-C4' energy: -66.142
flat angles P-C4'-P energy: -42.720
tors. eta vs tors. theta energy: -82.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -916.403535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.403535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.403535 (E_RNA)
where:
Base-Base interactions energy: -603.684
where: short stacking energy: -277.246
Base-Backbone interact. energy: -0.678
local terms energy: -312.041761
where:
bonds (distance) C4'-P energy: -65.965
bonds (distance) P-C4' energy: -58.608
flat angles C4'-P-C4' energy: -69.461
flat angles P-C4'-P energy: -35.322
tors. eta vs tors. theta energy: -82.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -887.084977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.084977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.084977 (E_RNA)
where:
Base-Base interactions energy: -597.454
where: short stacking energy: -247.524
Base-Backbone interact. energy: 0.545
local terms energy: -290.175981
where:
bonds (distance) C4'-P energy: -59.535
bonds (distance) P-C4' energy: -65.575
flat angles C4'-P-C4' energy: -56.420
flat angles P-C4'-P energy: -45.355
tors. eta vs tors. theta energy: -63.291
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: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -875.807328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.807328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.807328 (E_RNA)
where:
Base-Base interactions energy: -576.570
where: short stacking energy: -272.037
Base-Backbone interact. energy: -1.071
local terms energy: -298.166064
where:
bonds (distance) C4'-P energy: -65.377
bonds (distance) P-C4' energy: -52.905
flat angles C4'-P-C4' energy: -63.867
flat angles P-C4'-P energy: -39.722
tors. eta vs tors. theta energy: -76.294
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: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -711.739071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.739071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.739071 (E_RNA)
where:
Base-Base interactions energy: -456.832
where: short stacking energy: -214.031
Base-Backbone interact. energy: -1.957
local terms energy: -252.949907
where:
bonds (distance) C4'-P energy: -49.225
bonds (distance) P-C4' energy: -63.591
flat angles C4'-P-C4' energy: -61.750
flat angles P-C4'-P energy: -34.399
tors. eta vs tors. theta energy: -43.985
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: 7, replica: 6
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -583.206356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.206356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.206356 (E_RNA)
where:
Base-Base interactions energy: -353.603
where: short stacking energy: -173.304
Base-Backbone interact. energy: 0.264
local terms energy: -229.867927
where:
bonds (distance) C4'-P energy: -55.467
bonds (distance) P-C4' energy: -66.803
flat angles C4'-P-C4' energy: -45.266
flat angles P-C4'-P energy: -24.925
tors. eta vs tors. theta energy: -37.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -568.908846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.908846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.908846 (E_RNA)
where:
Base-Base interactions energy: -351.290
where: short stacking energy: -157.815
Base-Backbone interact. energy: 0.993
local terms energy: -218.612515
where:
bonds (distance) C4'-P energy: -42.668
bonds (distance) P-C4' energy: -58.468
flat angles C4'-P-C4' energy: -50.894
flat angles P-C4'-P energy: -33.993
tors. eta vs tors. theta energy: -32.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -375.654803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.654803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.654803 (E_RNA)
where:
Base-Base interactions energy: -178.308
where: short stacking energy: -102.269
Base-Backbone interact. energy: 1.853
local terms energy: -199.310741
where:
bonds (distance) C4'-P energy: -54.469
bonds (distance) P-C4' energy: -64.224
flat angles C4'-P-C4' energy: -48.551
flat angles P-C4'-P energy: -24.544
tors. eta vs tors. theta energy: -7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.111 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -375.234728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.234728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.234728 (E_RNA)
where:
Base-Base interactions energy: -196.731
where: short stacking energy: -96.167
Base-Backbone interact. energy: -3.288
local terms energy: -175.215251
where:
bonds (distance) C4'-P energy: -54.093
bonds (distance) P-C4' energy: -57.069
flat angles C4'-P-C4' energy: -33.709
flat angles P-C4'-P energy: -21.634
tors. eta vs tors. theta energy: -8.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1042.787807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.787807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.787807 (E_RNA)
where:
Base-Base interactions energy: -707.005
where: short stacking energy: -314.955
Base-Backbone interact. energy: -2.240
local terms energy: -334.361691
where:
bonds (distance) C4'-P energy: -64.329
bonds (distance) P-C4' energy: -63.441
flat angles C4'-P-C4' energy: -70.462
flat angles P-C4'-P energy: -42.992
tors. eta vs tors. theta energy: -93.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.819 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1029.275721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.275721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.275721 (E_RNA)
where:
Base-Base interactions energy: -702.327
where: short stacking energy: -309.184
Base-Backbone interact. energy: -0.917
local terms energy: -326.032162
where:
bonds (distance) C4'-P energy: -64.245
bonds (distance) P-C4' energy: -66.781
flat angles C4'-P-C4' energy: -67.072
flat angles P-C4'-P energy: -48.565
tors. eta vs tors. theta energy: -79.369
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: 3, replica: 10
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -918.464936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.464936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.464936 (E_RNA)
where:
Base-Base interactions energy: -623.542
where: short stacking energy: -280.526
Base-Backbone interact. energy: -0.593
local terms energy: -294.329795
where:
bonds (distance) C4'-P energy: -61.745
bonds (distance) P-C4' energy: -64.500
flat angles C4'-P-C4' energy: -57.407
flat angles P-C4'-P energy: -39.736
tors. eta vs tors. theta energy: -70.942
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: 293
Temperature: 1.050000
Total energy: -941.146528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.146528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.146528 (E_RNA)
where:
Base-Base interactions energy: -648.920
where: short stacking energy: -259.269
Base-Backbone interact. energy: -2.669
local terms energy: -289.557142
where:
bonds (distance) C4'-P energy: -57.604
bonds (distance) P-C4' energy: -50.030
flat angles C4'-P-C4' energy: -68.365
flat angles P-C4'-P energy: -42.590
tors. eta vs tors. theta energy: -70.968
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: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -864.293912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.293912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.293912 (E_RNA)
where:
Base-Base interactions energy: -574.015
where: short stacking energy: -257.125
Base-Backbone interact. energy: -0.368
local terms energy: -289.910937
where:
bonds (distance) C4'-P energy: -47.677
bonds (distance) P-C4' energy: -57.661
flat angles C4'-P-C4' energy: -65.759
flat angles P-C4'-P energy: -47.519
tors. eta vs tors. theta energy: -71.295
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: 6
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -651.091186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.091186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.091186 (E_RNA)
where:
Base-Base interactions energy: -395.701
where: short stacking energy: -197.051
Base-Backbone interact. energy: -0.625
local terms energy: -254.765392
where:
bonds (distance) C4'-P energy: -52.224
bonds (distance) P-C4' energy: -63.804
flat angles C4'-P-C4' energy: -53.329
flat angles P-C4'-P energy: -39.400
tors. eta vs tors. theta energy: -46.009
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: 7, replica: 2
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -682.847824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.847824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.847824 (E_RNA)
where:
Base-Base interactions energy: -437.489
where: short stacking energy: -194.730
Base-Backbone interact. energy: -3.146
local terms energy: -242.212031
where:
bonds (distance) C4'-P energy: -51.657
bonds (distance) P-C4' energy: -54.808
flat angles C4'-P-C4' energy: -61.127
flat angles P-C4'-P energy: -36.201
tors. eta vs tors. theta energy: -38.419
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: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -601.190784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.190784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.190784 (E_RNA)
where:
Base-Base interactions energy: -365.611
where: short stacking energy: -168.864
Base-Backbone interact. energy: -1.724
local terms energy: -233.856238
where:
bonds (distance) C4'-P energy: -44.018
bonds (distance) P-C4' energy: -55.781
flat angles C4'-P-C4' energy: -47.602
flat angles P-C4'-P energy: -49.252
tors. eta vs tors. theta energy: -37.203
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: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -411.312180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.312180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.312180 (E_RNA)
where:
Base-Base interactions energy: -225.725
where: short stacking energy: -137.149
Base-Backbone interact. energy: 0.690
local terms energy: -186.277290
where:
bonds (distance) C4'-P energy: -45.204
bonds (distance) P-C4' energy: -51.476
flat angles C4'-P-C4' energy: -49.966
flat angles P-C4'-P energy: -29.074
tors. eta vs tors. theta energy: -10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -367.510189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.510189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.510189 (E_RNA)
where:
Base-Base interactions energy: -174.736
where: short stacking energy: -71.907
Base-Backbone interact. energy: -0.948
local terms energy: -191.825726
where:
bonds (distance) C4'-P energy: -44.050
bonds (distance) P-C4' energy: -62.259
flat angles C4'-P-C4' energy: -50.873
flat angles P-C4'-P energy: -32.272
tors. eta vs tors. theta energy: -2.372
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: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1048.360560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.360560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.360560 (E_RNA)
where:
Base-Base interactions energy: -712.000
where: short stacking energy: -303.326
Base-Backbone interact. energy: -2.182
local terms energy: -334.178883
where:
bonds (distance) C4'-P energy: -55.457
bonds (distance) P-C4' energy: -68.483
flat angles C4'-P-C4' energy: -70.379
flat angles P-C4'-P energy: -51.658
tors. eta vs tors. theta energy: -88.201
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: 8
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1005.342592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.342592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.342592 (E_RNA)
where:
Base-Base interactions energy: -689.576
where: short stacking energy: -308.071
Base-Backbone interact. energy: -3.229
local terms energy: -312.537314
where:
bonds (distance) C4'-P energy: -61.828
bonds (distance) P-C4' energy: -63.542
flat angles C4'-P-C4' energy: -62.819
flat angles P-C4'-P energy: -38.314
tors. eta vs tors. theta energy: -86.034
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: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -964.727703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.727703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.727703 (E_RNA)
where:
Base-Base interactions energy: -637.691
where: short stacking energy: -289.006
Base-Backbone interact. energy: -1.495
local terms energy: -325.542163
where:
bonds (distance) C4'-P energy: -61.432
bonds (distance) P-C4' energy: -63.513
flat angles C4'-P-C4' energy: -62.538
flat angles P-C4'-P energy: -46.074
tors. eta vs tors. theta energy: -91.985
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: 9
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -900.738428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.738428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.738428 (E_RNA)
where:
Base-Base interactions energy: -615.787
where: short stacking energy: -262.971
Base-Backbone interact. energy: 7.141
local terms energy: -292.092663
where:
bonds (distance) C4'-P energy: -60.911
bonds (distance) P-C4' energy: -59.008
flat angles C4'-P-C4' energy: -54.113
flat angles P-C4'-P energy: -47.984
tors. eta vs tors. theta energy: -70.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -858.599927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.599927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.599927 (E_RNA)
where:
Base-Base interactions energy: -577.207
where: short stacking energy: -272.639
Base-Backbone interact. energy: 0.226
local terms energy: -281.618978
where:
bonds (distance) C4'-P energy: -55.080
bonds (distance) P-C4' energy: -50.875
flat angles C4'-P-C4' energy: -62.594
flat angles P-C4'-P energy: -42.591
tors. eta vs tors. theta energy: -70.479
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: 294
Temperature: 1.150000
Total energy: -628.967234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.967234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.967234 (E_RNA)
where:
Base-Base interactions energy: -380.131
where: short stacking energy: -202.562
Base-Backbone interact. energy: -0.896
local terms energy: -247.940302
where:
bonds (distance) C4'-P energy: -51.702
bonds (distance) P-C4' energy: -53.445
flat angles C4'-P-C4' energy: -62.981
flat angles P-C4'-P energy: -35.063
tors. eta vs tors. theta energy: -44.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -646.709307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.709307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.709307 (E_RNA)
where:
Base-Base interactions energy: -390.504
where: short stacking energy: -205.243
Base-Backbone interact. energy: -0.660
local terms energy: -255.545750
where:
bonds (distance) C4'-P energy: -55.721
bonds (distance) P-C4' energy: -60.808
flat angles C4'-P-C4' energy: -57.968
flat angles P-C4'-P energy: -36.572
tors. eta vs tors. theta energy: -44.476
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: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -572.855876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.855876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.855876 (E_RNA)
where:
Base-Base interactions energy: -352.309
where: short stacking energy: -177.624
Base-Backbone interact. energy: 0.501
local terms energy: -221.048348
where:
bonds (distance) C4'-P energy: -53.230
bonds (distance) P-C4' energy: -55.788
flat angles C4'-P-C4' energy: -48.911
flat angles P-C4'-P energy: -26.869
tors. eta vs tors. theta energy: -36.250
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: 294
Temperature: 1.300000
Total energy: -402.721855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.721855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.721855 (E_RNA)
where:
Base-Base interactions energy: -212.857
where: short stacking energy: -104.861
Base-Backbone interact. energy: 1.613
local terms energy: -191.477102
where:
bonds (distance) C4'-P energy: -54.186
bonds (distance) P-C4' energy: -50.340
flat angles C4'-P-C4' energy: -47.342
flat angles P-C4'-P energy: -31.574
tors. eta vs tors. theta energy: -8.035
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: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -334.620723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.620723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.620723 (E_RNA)
where:
Base-Base interactions energy: -153.842
where: short stacking energy: -96.028
Base-Backbone interact. energy: -2.869
local terms energy: -177.910179
where:
bonds (distance) C4'-P energy: -41.872
bonds (distance) P-C4' energy: -62.035
flat angles C4'-P-C4' energy: -43.372
flat angles P-C4'-P energy: -29.547
tors. eta vs tors. theta energy: -1.085
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: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1062.339545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.339545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.339545 (E_RNA)
where:
Base-Base interactions energy: -729.685
where: short stacking energy: -321.570
Base-Backbone interact. energy: 1.653
local terms energy: -334.307523
where:
bonds (distance) C4'-P energy: -65.647
bonds (distance) P-C4' energy: -61.762
flat angles C4'-P-C4' energy: -70.335
flat angles P-C4'-P energy: -53.649
tors. eta vs tors. theta energy: -82.914
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: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1026.276197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.276197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.276197 (E_RNA)
where:
Base-Base interactions energy: -688.464
where: short stacking energy: -300.733
Base-Backbone interact. energy: -2.471
local terms energy: -335.341075
where:
bonds (distance) C4'-P energy: -65.880
bonds (distance) P-C4' energy: -72.014
flat angles C4'-P-C4' energy: -69.141
flat angles P-C4'-P energy: -49.316
tors. eta vs tors. theta energy: -78.989
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: 3, replica: 10
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -924.660950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.660950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.660950 (E_RNA)
where:
Base-Base interactions energy: -619.695
where: short stacking energy: -277.539
Base-Backbone interact. energy: 0.091
local terms energy: -305.057181
where:
bonds (distance) C4'-P energy: -58.328
bonds (distance) P-C4' energy: -66.001
flat angles C4'-P-C4' energy: -69.927
flat angles P-C4'-P energy: -39.466
tors. eta vs tors. theta energy: -71.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -901.759971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.759971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.759971 (E_RNA)
where:
Base-Base interactions energy: -603.632
where: short stacking energy: -271.288
Base-Backbone interact. energy: -0.845
local terms energy: -297.282857
where:
bonds (distance) C4'-P energy: -53.389
bonds (distance) P-C4' energy: -56.549
flat angles C4'-P-C4' energy: -67.271
flat angles P-C4'-P energy: -42.318
tors. eta vs tors. theta energy: -77.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -887.335991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.335991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.335991 (E_RNA)
where:
Base-Base interactions energy: -612.116
where: short stacking energy: -250.462
Base-Backbone interact. energy: 1.961
local terms energy: -277.181291
where:
bonds (distance) C4'-P energy: -57.660
bonds (distance) P-C4' energy: -62.930
flat angles C4'-P-C4' energy: -51.636
flat angles P-C4'-P energy: -37.600
tors. eta vs tors. theta energy: -67.356
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: 2
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -667.915626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.915626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.915626 (E_RNA)
where:
Base-Base interactions energy: -397.571
where: short stacking energy: -193.505
Base-Backbone interact. energy: -0.876
local terms energy: -269.468761
where:
bonds (distance) C4'-P energy: -54.723
bonds (distance) P-C4' energy: -63.532
flat angles C4'-P-C4' energy: -63.921
flat angles P-C4'-P energy: -35.878
tors. eta vs tors. theta energy: -51.416
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: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -561.662242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.662242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.662242 (E_RNA)
where:
Base-Base interactions energy: -352.320
where: short stacking energy: -169.812
Base-Backbone interact. energy: -0.944
local terms energy: -208.398065
where:
bonds (distance) C4'-P energy: -51.705
bonds (distance) P-C4' energy: -55.187
flat angles C4'-P-C4' energy: -45.202
flat angles P-C4'-P energy: -33.484
tors. eta vs tors. theta energy: -22.820
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: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -560.304921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.304921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.304921 (E_RNA)
where:
Base-Base interactions energy: -318.506
where: short stacking energy: -168.242
Base-Backbone interact. energy: -2.051
local terms energy: -239.748287
where:
bonds (distance) C4'-P energy: -50.316
bonds (distance) P-C4' energy: -67.537
flat angles C4'-P-C4' energy: -52.010
flat angles P-C4'-P energy: -33.459
tors. eta vs tors. theta energy: -36.426
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: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -384.088579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.088579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.088579 (E_RNA)
where:
Base-Base interactions energy: -219.780
where: short stacking energy: -95.511
Base-Backbone interact. energy: -1.900
local terms energy: -162.408976
where:
bonds (distance) C4'-P energy: -44.843
bonds (distance) P-C4' energy: -51.585
flat angles C4'-P-C4' energy: -38.418
flat angles P-C4'-P energy: -27.231
tors. eta vs tors. theta energy: -0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -354.388064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.388064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.388064 (E_RNA)
where:
Base-Base interactions energy: -175.793
where: short stacking energy: -98.533
Base-Backbone interact. energy: -0.330
local terms energy: -178.265190
where:
bonds (distance) C4'-P energy: -45.500
bonds (distance) P-C4' energy: -53.041
flat angles C4'-P-C4' energy: -46.375
flat angles P-C4'-P energy: -37.131
tors. eta vs tors. theta energy: 3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1059.560692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.560692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.560692 (E_RNA)
where:
Base-Base interactions energy: -717.264
where: short stacking energy: -326.640
Base-Backbone interact. energy: 1.214
local terms energy: -343.510632
where:
bonds (distance) C4'-P energy: -66.564
bonds (distance) P-C4' energy: -73.123
flat angles C4'-P-C4' energy: -67.493
flat angles P-C4'-P energy: -49.688
tors. eta vs tors. theta energy: -86.642
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: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1042.752311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.752311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.752311 (E_RNA)
where:
Base-Base interactions energy: -720.247
where: short stacking energy: -294.949
Base-Backbone interact. energy: -1.959
local terms energy: -320.546796
where:
bonds (distance) C4'-P energy: -62.311
bonds (distance) P-C4' energy: -59.898
flat angles C4'-P-C4' energy: -72.252
flat angles P-C4'-P energy: -43.543
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: 3, replica: 10
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -972.932065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.932065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.932065 (E_RNA)
where:
Base-Base interactions energy: -653.958
where: short stacking energy: -311.149
Base-Backbone interact. energy: -0.558
local terms energy: -318.415655
where:
bonds (distance) C4'-P energy: -58.241
bonds (distance) P-C4' energy: -57.717
flat angles C4'-P-C4' energy: -74.160
flat angles P-C4'-P energy: -40.536
tors. eta vs tors. theta energy: -87.762
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: 1
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -896.862709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.862709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.862709 (E_RNA)
where:
Base-Base interactions energy: -590.938
where: short stacking energy: -256.569
Base-Backbone interact. energy: -1.948
local terms energy: -303.976786
where:
bonds (distance) C4'-P energy: -56.486
bonds (distance) P-C4' energy: -62.464
flat angles C4'-P-C4' energy: -66.044
flat angles P-C4'-P energy: -48.563
tors. eta vs tors. theta energy: -70.420
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: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -887.515339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.515339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.515339 (E_RNA)
where:
Base-Base interactions energy: -589.404
where: short stacking energy: -252.955
Base-Backbone interact. energy: 0.270
local terms energy: -298.380965
where:
bonds (distance) C4'-P energy: -58.389
bonds (distance) P-C4' energy: -59.014
flat angles C4'-P-C4' energy: -70.634
flat angles P-C4'-P energy: -36.635
tors. eta vs tors. theta energy: -73.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -659.019984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.019984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.019984 (E_RNA)
where:
Base-Base interactions energy: -407.782
where: short stacking energy: -194.066
Base-Backbone interact. energy: -0.758
local terms energy: -250.479983
where:
bonds (distance) C4'-P energy: -51.271
bonds (distance) P-C4' energy: -63.982
flat angles C4'-P-C4' energy: -57.341
flat angles P-C4'-P energy: -33.360
tors. eta vs tors. theta energy: -44.526
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: 7, replica: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -559.598508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.598508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.598508 (E_RNA)
where:
Base-Base interactions energy: -334.076
where: short stacking energy: -148.676
Base-Backbone interact. energy: 1.455
local terms energy: -226.977312
where:
bonds (distance) C4'-P energy: -57.991
bonds (distance) P-C4' energy: -62.995
flat angles C4'-P-C4' energy: -54.713
flat angles P-C4'-P energy: -24.879
tors. eta vs tors. theta energy: -26.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -542.203391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.203391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.203391 (E_RNA)
where:
Base-Base interactions energy: -330.112
where: short stacking energy: -169.328
Base-Backbone interact. energy: -0.625
local terms energy: -211.466487
where:
bonds (distance) C4'-P energy: -45.504
bonds (distance) P-C4' energy: -62.508
flat angles C4'-P-C4' energy: -45.653
flat angles P-C4'-P energy: -27.755
tors. eta vs tors. theta energy: -30.046
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: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -362.807263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.807263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.807263 (E_RNA)
where:
Base-Base interactions energy: -150.159
where: short stacking energy: -103.874
Base-Backbone interact. energy: -0.952
local terms energy: -211.695648
where:
bonds (distance) C4'-P energy: -47.864
bonds (distance) P-C4' energy: -59.230
flat angles C4'-P-C4' energy: -55.119
flat angles P-C4'-P energy: -36.526
tors. eta vs tors. theta energy: -12.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -316.734776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.734776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.734776 (E_RNA)
where:
Base-Base interactions energy: -147.013
where: short stacking energy: -87.535
Base-Backbone interact. energy: 6.217
local terms energy: -175.938278
where:
bonds (distance) C4'-P energy: -48.922
bonds (distance) P-C4' energy: -52.066
flat angles C4'-P-C4' energy: -32.496
flat angles P-C4'-P energy: -46.388
tors. eta vs tors. theta energy: 3.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1094.904373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.904373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.904373 (E_RNA)
where:
Base-Base interactions energy: -754.430
where: short stacking energy: -321.701
Base-Backbone interact. energy: -0.165
local terms energy: -340.309399
where:
bonds (distance) C4'-P energy: -66.738
bonds (distance) P-C4' energy: -73.927
flat angles C4'-P-C4' energy: -69.017
flat angles P-C4'-P energy: -44.485
tors. eta vs tors. theta energy: -86.142
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: 2, replica: 4
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1039.599265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.599265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.599265 (E_RNA)
where:
Base-Base interactions energy: -708.790
where: short stacking energy: -293.256
Base-Backbone interact. energy: 0.007
local terms energy: -330.816875
where:
bonds (distance) C4'-P energy: -62.465
bonds (distance) P-C4' energy: -64.595
flat angles C4'-P-C4' energy: -70.322
flat angles P-C4'-P energy: -52.349
tors. eta vs tors. theta energy: -81.086
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: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -941.666070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.666070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.666070 (E_RNA)
where:
Base-Base interactions energy: -637.706
where: short stacking energy: -271.378
Base-Backbone interact. energy: -0.670
local terms energy: -303.290320
where:
bonds (distance) C4'-P energy: -53.493
bonds (distance) P-C4' energy: -59.960
flat angles C4'-P-C4' energy: -65.308
flat angles P-C4'-P energy: -40.771
tors. eta vs tors. theta energy: -83.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -892.457314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.457314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.457314 (E_RNA)
where:
Base-Base interactions energy: -617.433
where: short stacking energy: -254.788
Base-Backbone interact. energy: 0.590
local terms energy: -275.614409
where:
bonds (distance) C4'-P energy: -50.444
bonds (distance) P-C4' energy: -52.955
flat angles C4'-P-C4' energy: -68.461
flat angles P-C4'-P energy: -40.707
tors. eta vs tors. theta energy: -63.046
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: 1
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -828.175196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.175196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.175196 (E_RNA)
where:
Base-Base interactions energy: -557.913
where: short stacking energy: -238.520
Base-Backbone interact. energy: -0.396
local terms energy: -269.865764
where:
bonds (distance) C4'-P energy: -55.440
bonds (distance) P-C4' energy: -62.569
flat angles C4'-P-C4' energy: -61.966
flat angles P-C4'-P energy: -32.211
tors. eta vs tors. theta energy: -57.680
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: 6, replica: 2
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -657.774869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.774869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.774869 (E_RNA)
where:
Base-Base interactions energy: -407.918
where: short stacking energy: -203.811
Base-Backbone interact. energy: -1.788
local terms energy: -248.069843
where:
bonds (distance) C4'-P energy: -55.687
bonds (distance) P-C4' energy: -52.124
flat angles C4'-P-C4' energy: -52.298
flat angles P-C4'-P energy: -36.142
tors. eta vs tors. theta energy: -51.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -608.563198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.563198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.563198 (E_RNA)
where:
Base-Base interactions energy: -353.807
where: short stacking energy: -189.297
Base-Backbone interact. energy: -1.033
local terms energy: -253.722701
where:
bonds (distance) C4'-P energy: -61.783
bonds (distance) P-C4' energy: -64.857
flat angles C4'-P-C4' energy: -62.545
flat angles P-C4'-P energy: -29.867
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: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -547.151884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.151884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.151884 (E_RNA)
where:
Base-Base interactions energy: -321.680
where: short stacking energy: -161.125
Base-Backbone interact. energy: -1.200
local terms energy: -224.271810
where:
bonds (distance) C4'-P energy: -48.333
bonds (distance) P-C4' energy: -69.335
flat angles C4'-P-C4' energy: -51.577
flat angles P-C4'-P energy: -36.950
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -351.980738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.980738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.980738 (E_RNA)
where:
Base-Base interactions energy: -173.775
where: short stacking energy: -119.150
Base-Backbone interact. energy: -0.978
local terms energy: -177.227828
where:
bonds (distance) C4'-P energy: -41.642
bonds (distance) P-C4' energy: -61.081
flat angles C4'-P-C4' energy: -45.246
flat angles P-C4'-P energy: -29.486
tors. eta vs tors. theta energy: 0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -329.779198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.779198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.779198 (E_RNA)
where:
Base-Base interactions energy: -142.780
where: short stacking energy: -88.800
Base-Backbone interact. energy: 2.239
local terms energy: -189.237903
where:
bonds (distance) C4'-P energy: -66.437
bonds (distance) P-C4' energy: -53.742
flat angles C4'-P-C4' energy: -34.550
flat angles P-C4'-P energy: -31.364
tors. eta vs tors. theta energy: -3.144
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: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1059.492704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.492704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.492704 (E_RNA)
where:
Base-Base interactions energy: -719.293
where: short stacking energy: -308.767
Base-Backbone interact. energy: -5.315
local terms energy: -334.884416
where:
bonds (distance) C4'-P energy: -58.782
bonds (distance) P-C4' energy: -72.034
flat angles C4'-P-C4' energy: -69.445
flat angles P-C4'-P energy: -47.226
tors. eta vs tors. theta energy: -87.398
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: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1045.637172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.637172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.637172 (E_RNA)
where:
Base-Base interactions energy: -712.554
where: short stacking energy: -313.421
Base-Backbone interact. energy: -4.124
local terms energy: -328.959373
where:
bonds (distance) C4'-P energy: -66.184
bonds (distance) P-C4' energy: -62.699
flat angles C4'-P-C4' energy: -73.797
flat angles P-C4'-P energy: -38.415
tors. eta vs tors. theta energy: -87.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -938.178605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.178605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.178605 (E_RNA)
where:
Base-Base interactions energy: -618.353
where: short stacking energy: -284.718
Base-Backbone interact. energy: -0.021
local terms energy: -320.412012
where:
bonds (distance) C4'-P energy: -57.616
bonds (distance) P-C4' energy: -69.500
flat angles C4'-P-C4' energy: -65.576
flat angles P-C4'-P energy: -43.139
tors. eta vs tors. theta energy: -84.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.607 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -886.814016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.814016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.814016 (E_RNA)
where:
Base-Base interactions energy: -591.143
where: short stacking energy: -243.426
Base-Backbone interact. energy: -0.439
local terms energy: -295.232531
where:
bonds (distance) C4'-P energy: -47.916
bonds (distance) P-C4' energy: -62.643
flat angles C4'-P-C4' energy: -70.537
flat angles P-C4'-P energy: -48.116
tors. eta vs tors. theta energy: -66.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -818.570767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.570767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.570767 (E_RNA)
where:
Base-Base interactions energy: -542.969
where: short stacking energy: -245.924
Base-Backbone interact. energy: -2.237
local terms energy: -273.364525
where:
bonds (distance) C4'-P energy: -56.403
bonds (distance) P-C4' energy: -55.282
flat angles C4'-P-C4' energy: -61.580
flat angles P-C4'-P energy: -44.575
tors. eta vs tors. theta energy: -55.524
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: 6, replica: 2
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -640.047018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.047018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.047018 (E_RNA)
where:
Base-Base interactions energy: -376.333
where: short stacking energy: -177.263
Base-Backbone interact. energy: -1.703
local terms energy: -262.010650
where:
bonds (distance) C4'-P energy: -60.259
bonds (distance) P-C4' energy: -59.427
flat angles C4'-P-C4' energy: -57.582
flat angles P-C4'-P energy: -40.368
tors. eta vs tors. theta energy: -44.374
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: 5
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -642.695041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.695041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.695041 (E_RNA)
where:
Base-Base interactions energy: -406.717
where: short stacking energy: -171.010
Base-Backbone interact. energy: 1.495
local terms energy: -237.472359
where:
bonds (distance) C4'-P energy: -50.105
bonds (distance) P-C4' energy: -56.595
flat angles C4'-P-C4' energy: -56.894
flat angles P-C4'-P energy: -43.137
tors. eta vs tors. theta energy: -30.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -542.626206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.626206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.626206 (E_RNA)
where:
Base-Base interactions energy: -330.263
where: short stacking energy: -173.510
Base-Backbone interact. energy: -0.539
local terms energy: -211.823428
where:
bonds (distance) C4'-P energy: -48.721
bonds (distance) P-C4' energy: -45.637
flat angles C4'-P-C4' energy: -60.117
flat angles P-C4'-P energy: -30.043
tors. eta vs tors. theta energy: -27.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -339.528921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.528921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.528921 (E_RNA)
where:
Base-Base interactions energy: -171.310
where: short stacking energy: -111.257
Base-Backbone interact. energy: -0.339
local terms energy: -167.879286
where:
bonds (distance) C4'-P energy: -44.839
bonds (distance) P-C4' energy: -49.605
flat angles C4'-P-C4' energy: -50.006
flat angles P-C4'-P energy: -29.749
tors. eta vs tors. theta energy: 6.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -323.897692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.897692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.897692 (E_RNA)
where:
Base-Base interactions energy: -144.989
where: short stacking energy: -85.499
Base-Backbone interact. energy: 5.675
local terms energy: -184.583630
where:
bonds (distance) C4'-P energy: -57.745
bonds (distance) P-C4' energy: -53.625
flat angles C4'-P-C4' energy: -44.584
flat angles P-C4'-P energy: -26.362
tors. eta vs tors. theta energy: -2.267
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: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1058.992278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.992278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.992278 (E_RNA)
where:
Base-Base interactions energy: -730.192
where: short stacking energy: -317.847
Base-Backbone interact. energy: -1.418
local terms energy: -327.382332
where:
bonds (distance) C4'-P energy: -66.253
bonds (distance) P-C4' energy: -59.902
flat angles C4'-P-C4' energy: -73.218
flat angles P-C4'-P energy: -44.849
tors. eta vs tors. theta energy: -83.161
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: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1044.669948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.669948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.669948 (E_RNA)
where:
Base-Base interactions energy: -705.151
where: short stacking energy: -298.556
Base-Backbone interact. energy: -4.787
local terms energy: -334.732168
where:
bonds (distance) C4'-P energy: -64.978
bonds (distance) P-C4' energy: -68.272
flat angles C4'-P-C4' energy: -67.640
flat angles P-C4'-P energy: -50.801
tors. eta vs tors. theta energy: -83.042
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: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -957.609334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.609334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.609334 (E_RNA)
where:
Base-Base interactions energy: -626.534
where: short stacking energy: -296.089
Base-Backbone interact. energy: -1.760
local terms energy: -329.314493
where:
bonds (distance) C4'-P energy: -55.641
bonds (distance) P-C4' energy: -62.470
flat angles C4'-P-C4' energy: -75.126
flat angles P-C4'-P energy: -39.532
tors. eta vs tors. theta energy: -96.545
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: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -895.327607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.327607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.327607 (E_RNA)
where:
Base-Base interactions energy: -602.732
where: short stacking energy: -251.170
Base-Backbone interact. energy: -2.368
local terms energy: -290.228127
where:
bonds (distance) C4'-P energy: -60.485
bonds (distance) P-C4' energy: -59.179
flat angles C4'-P-C4' energy: -54.754
flat angles P-C4'-P energy: -46.983
tors. eta vs tors. theta energy: -68.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -814.120016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.120016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.120016 (E_RNA)
where:
Base-Base interactions energy: -522.088
where: short stacking energy: -233.856
Base-Backbone interact. energy: -1.143
local terms energy: -290.889071
where:
bonds (distance) C4'-P energy: -56.763
bonds (distance) P-C4' energy: -67.524
flat angles C4'-P-C4' energy: -60.823
flat angles P-C4'-P energy: -43.283
tors. eta vs tors. theta energy: -62.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -670.916655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.916655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.916655 (E_RNA)
where:
Base-Base interactions energy: -423.814
where: short stacking energy: -181.586
Base-Backbone interact. energy: -1.181
local terms energy: -245.921180
where:
bonds (distance) C4'-P energy: -62.515
bonds (distance) P-C4' energy: -56.089
flat angles C4'-P-C4' energy: -52.122
flat angles P-C4'-P energy: -43.015
tors. eta vs tors. theta energy: -32.179
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: 2
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -642.836361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.836361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.836361 (E_RNA)
where:
Base-Base interactions energy: -402.574
where: short stacking energy: -173.280
Base-Backbone interact. energy: -0.572
local terms energy: -239.690203
where:
bonds (distance) C4'-P energy: -41.307
bonds (distance) P-C4' energy: -48.973
flat angles C4'-P-C4' energy: -67.550
flat angles P-C4'-P energy: -40.826
tors. eta vs tors. theta energy: -41.034
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: 299
Temperature: 1.250000
Total energy: -524.630600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.630600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.630600 (E_RNA)
where:
Base-Base interactions energy: -301.049
where: short stacking energy: -170.552
Base-Backbone interact. energy: -1.880
local terms energy: -221.701468
where:
bonds (distance) C4'-P energy: -52.275
bonds (distance) P-C4' energy: -56.579
flat angles C4'-P-C4' energy: -58.324
flat angles P-C4'-P energy: -25.198
tors. eta vs tors. theta energy: -29.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -371.188436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.188436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.188436 (E_RNA)
where:
Base-Base interactions energy: -164.791
where: short stacking energy: -111.665
Base-Backbone interact. energy: 0.445
local terms energy: -206.842328
where:
bonds (distance) C4'-P energy: -44.045
bonds (distance) P-C4' energy: -71.274
flat angles C4'-P-C4' energy: -47.430
flat angles P-C4'-P energy: -37.393
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -335.483871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.483871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.483871 (E_RNA)
where:
Base-Base interactions energy: -148.218
where: short stacking energy: -98.363
Base-Backbone interact. energy: -1.818
local terms energy: -185.448106
where:
bonds (distance) C4'-P energy: -48.659
bonds (distance) P-C4' energy: -57.832
flat angles C4'-P-C4' energy: -45.597
flat angles P-C4'-P energy: -25.627
tors. eta vs tors. theta energy: -7.733
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: 300
Temperature: 0.900000
Total energy: -1061.454963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.454963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.454963 (E_RNA)
where:
Base-Base interactions energy: -734.949
where: short stacking energy: -305.016
Base-Backbone interact. energy: -3.242
local terms energy: -323.264123
where:
bonds (distance) C4'-P energy: -70.426
bonds (distance) P-C4' energy: -55.867
flat angles C4'-P-C4' energy: -73.049
flat angles P-C4'-P energy: -42.336
tors. eta vs tors. theta energy: -81.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1039.708424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.708424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.708424 (E_RNA)
where:
Base-Base interactions energy: -700.901
where: short stacking energy: -296.839
Base-Backbone interact. energy: -2.070
local terms energy: -336.736788
where:
bonds (distance) C4'-P energy: -66.368
bonds (distance) P-C4' energy: -65.632
flat angles C4'-P-C4' energy: -74.692
flat angles P-C4'-P energy: -46.466
tors. eta vs tors. theta energy: -83.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -929.708903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.708903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.708903 (E_RNA)
where:
Base-Base interactions energy: -623.476
where: short stacking energy: -267.683
Base-Backbone interact. energy: -1.453
local terms energy: -304.779580
where:
bonds (distance) C4'-P energy: -59.747
bonds (distance) P-C4' energy: -68.371
flat angles C4'-P-C4' energy: -73.559
flat angles P-C4'-P energy: -43.859
tors. eta vs tors. theta energy: -59.243
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: 4, replica: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -932.605569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.605569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.605569 (E_RNA)
where:
Base-Base interactions energy: -630.518
where: short stacking energy: -287.908
Base-Backbone interact. energy: -1.256
local terms energy: -300.831682
where:
bonds (distance) C4'-P energy: -48.324
bonds (distance) P-C4' energy: -55.392
flat angles C4'-P-C4' energy: -65.556
flat angles P-C4'-P energy: -42.612
tors. eta vs tors. theta energy: -88.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -763.833410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.833410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.833410 (E_RNA)
where:
Base-Base interactions energy: -491.233
where: short stacking energy: -224.862
Base-Backbone interact. energy: 0.531
local terms energy: -273.131336
where:
bonds (distance) C4'-P energy: -51.878
bonds (distance) P-C4' energy: -63.703
flat angles C4'-P-C4' energy: -62.286
flat angles P-C4'-P energy: -39.214
tors. eta vs tors. theta energy: -56.050
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: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -698.452859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.452859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.452859 (E_RNA)
where:
Base-Base interactions energy: -429.810
where: short stacking energy: -208.476
Base-Backbone interact. energy: -0.328
local terms energy: -268.314478
where:
bonds (distance) C4'-P energy: -55.907
bonds (distance) P-C4' energy: -56.646
flat angles C4'-P-C4' energy: -66.642
flat angles P-C4'-P energy: -39.222
tors. eta vs tors. theta energy: -49.897
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: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -638.048530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.048530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.048530 (E_RNA)
where:
Base-Base interactions energy: -391.860
where: short stacking energy: -216.039
Base-Backbone interact. energy: 5.109
local terms energy: -251.297910
where:
bonds (distance) C4'-P energy: -56.193
bonds (distance) P-C4' energy: -64.025
flat angles C4'-P-C4' energy: -54.506
flat angles P-C4'-P energy: -32.353
tors. eta vs tors. theta energy: -44.221
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: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -491.088975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.088975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.088975 (E_RNA)
where:
Base-Base interactions energy: -288.355
where: short stacking energy: -137.374
Base-Backbone interact. energy: -0.132
local terms energy: -202.602318
where:
bonds (distance) C4'-P energy: -52.722
bonds (distance) P-C4' energy: -61.604
flat angles C4'-P-C4' energy: -36.928
flat angles P-C4'-P energy: -34.266
tors. eta vs tors. theta energy: -17.083
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: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -355.591864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.591864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.591864 (E_RNA)
where:
Base-Base interactions energy: -160.609
where: short stacking energy: -90.812
Base-Backbone interact. energy: 1.012
local terms energy: -195.994974
where:
bonds (distance) C4'-P energy: -58.794
bonds (distance) P-C4' energy: -57.760
flat angles C4'-P-C4' energy: -51.836
flat angles P-C4'-P energy: -30.233
tors. eta vs tors. theta energy: 2.627
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: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -369.128323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.128323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.128323 (E_RNA)
where:
Base-Base interactions energy: -187.222
where: short stacking energy: -92.310
Base-Backbone interact. energy: -0.718
local terms energy: -181.188177
where:
bonds (distance) C4'-P energy: -39.589
bonds (distance) P-C4' energy: -65.232
flat angles C4'-P-C4' energy: -51.545
flat angles P-C4'-P energy: -28.408
tors. eta vs tors. theta energy: 3.587
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: 1, replica: 8
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1042.237640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.237640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.237640 (E_RNA)
where:
Base-Base interactions energy: -732.551
where: short stacking energy: -312.059
Base-Backbone interact. energy: -1.974
local terms energy: -307.712060
where:
bonds (distance) C4'-P energy: -59.517
bonds (distance) P-C4' energy: -58.756
flat angles C4'-P-C4' energy: -66.184
flat angles P-C4'-P energy: -43.319
tors. eta vs tors. theta energy: -79.935
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: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1053.627969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.627969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.627969 (E_RNA)
where:
Base-Base interactions energy: -707.984
where: short stacking energy: -314.803
Base-Backbone interact. energy: -4.516
local terms energy: -341.127734
where:
bonds (distance) C4'-P energy: -57.454
bonds (distance) P-C4' energy: -68.481
flat angles C4'-P-C4' energy: -72.220
flat angles P-C4'-P energy: -50.396
tors. eta vs tors. theta energy: -92.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -963.222807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.222807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.222807 (E_RNA)
where:
Base-Base interactions energy: -641.870
where: short stacking energy: -270.504
Base-Backbone interact. energy: -4.752
local terms energy: -316.600912
where:
bonds (distance) C4'-P energy: -58.447
bonds (distance) P-C4' energy: -66.381
flat angles C4'-P-C4' energy: -69.548
flat angles P-C4'-P energy: -51.682
tors. eta vs tors. theta energy: -70.543
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: 301
Temperature: 1.050000
Total energy: -911.712077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.712077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.712077 (E_RNA)
where:
Base-Base interactions energy: -594.747
where: short stacking energy: -260.511
Base-Backbone interact. energy: 1.531
local terms energy: -318.525880
where:
bonds (distance) C4'-P energy: -56.585
bonds (distance) P-C4' energy: -63.689
flat angles C4'-P-C4' energy: -64.252
flat angles P-C4'-P energy: -51.284
tors. eta vs tors. theta energy: -82.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.030 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -806.738063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.738063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.738063 (E_RNA)
where:
Base-Base interactions energy: -523.147
where: short stacking energy: -244.967
Base-Backbone interact. energy: 2.029
local terms energy: -285.619998
where:
bonds (distance) C4'-P energy: -54.490
bonds (distance) P-C4' energy: -57.356
flat angles C4'-P-C4' energy: -70.874
flat angles P-C4'-P energy: -36.395
tors. eta vs tors. theta energy: -66.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -737.753738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.753738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.753738 (E_RNA)
where:
Base-Base interactions energy: -456.835
where: short stacking energy: -221.979
Base-Backbone interact. energy: -2.549
local terms energy: -278.369265
where:
bonds (distance) C4'-P energy: -67.721
bonds (distance) P-C4' energy: -51.601
flat angles C4'-P-C4' energy: -56.251
flat angles P-C4'-P energy: -43.106
tors. eta vs tors. theta energy: -59.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -647.094273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.094273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.094273 (E_RNA)
where:
Base-Base interactions energy: -392.986
where: short stacking energy: -202.064
Base-Backbone interact. energy: 0.580
local terms energy: -254.688522
where:
bonds (distance) C4'-P energy: -58.244
bonds (distance) P-C4' energy: -66.617
flat angles C4'-P-C4' energy: -54.030
flat angles P-C4'-P energy: -22.463
tors. eta vs tors. theta energy: -53.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -493.017228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.017228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.017228 (E_RNA)
where:
Base-Base interactions energy: -301.517
where: short stacking energy: -132.780
Base-Backbone interact. energy: 1.674
local terms energy: -193.174054
where:
bonds (distance) C4'-P energy: -35.920
bonds (distance) P-C4' energy: -56.175
flat angles C4'-P-C4' energy: -52.125
flat angles P-C4'-P energy: -35.830
tors. eta vs tors. theta energy: -13.124
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: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -388.445203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.445203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.445203 (E_RNA)
where:
Base-Base interactions energy: -192.729
where: short stacking energy: -108.213
Base-Backbone interact. energy: -1.636
local terms energy: -194.079564
where:
bonds (distance) C4'-P energy: -53.493
bonds (distance) P-C4' energy: -56.860
flat angles C4'-P-C4' energy: -51.437
flat angles P-C4'-P energy: -30.871
tors. eta vs tors. theta energy: -1.420
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: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -334.889908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.889908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.889908 (E_RNA)
where:
Base-Base interactions energy: -155.024
where: short stacking energy: -85.624
Base-Backbone interact. energy: -0.725
local terms energy: -179.141252
where:
bonds (distance) C4'-P energy: -47.697
bonds (distance) P-C4' energy: -56.410
flat angles C4'-P-C4' energy: -38.539
flat angles P-C4'-P energy: -37.440
tors. eta vs tors. theta energy: 0.945
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: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1043.803004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.803004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.803004 (E_RNA)
where:
Base-Base interactions energy: -728.681
where: short stacking energy: -311.732
Base-Backbone interact. energy: -5.237
local terms energy: -309.885355
where:
bonds (distance) C4'-P energy: -58.536
bonds (distance) P-C4' energy: -56.599
flat angles C4'-P-C4' energy: -66.439
flat angles P-C4'-P energy: -43.794
tors. eta vs tors. theta energy: -84.516
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: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1003.737791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.737791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.737791 (E_RNA)
where:
Base-Base interactions energy: -698.174
where: short stacking energy: -290.922
Base-Backbone interact. energy: -3.213
local terms energy: -302.350941
where:
bonds (distance) C4'-P energy: -60.224
bonds (distance) P-C4' energy: -60.698
flat angles C4'-P-C4' energy: -65.037
flat angles P-C4'-P energy: -36.384
tors. eta vs tors. theta energy: -80.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -947.376364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.376364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.376364 (E_RNA)
where:
Base-Base interactions energy: -634.723
where: short stacking energy: -277.371
Base-Backbone interact. energy: -1.928
local terms energy: -310.725140
where:
bonds (distance) C4'-P energy: -60.028
bonds (distance) P-C4' energy: -56.456
flat angles C4'-P-C4' energy: -73.462
flat angles P-C4'-P energy: -49.503
tors. eta vs tors. theta energy: -71.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -915.942791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.942791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.942791 (E_RNA)
where:
Base-Base interactions energy: -592.791
where: short stacking energy: -277.329
Base-Backbone interact. energy: -0.807
local terms energy: -322.344739
where:
bonds (distance) C4'-P energy: -68.304
bonds (distance) P-C4' energy: -51.277
flat angles C4'-P-C4' energy: -71.965
flat angles P-C4'-P energy: -40.592
tors. eta vs tors. theta energy: -90.207
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: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -767.632236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.632236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.632236 (E_RNA)
where:
Base-Base interactions energy: -498.333
where: short stacking energy: -215.081
Base-Backbone interact. energy: -1.684
local terms energy: -267.615616
where:
bonds (distance) C4'-P energy: -57.839
bonds (distance) P-C4' energy: -52.210
flat angles C4'-P-C4' energy: -59.451
flat angles P-C4'-P energy: -39.957
tors. eta vs tors. theta energy: -58.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -706.919698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.919698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.919698 (E_RNA)
where:
Base-Base interactions energy: -435.550
where: short stacking energy: -212.665
Base-Backbone interact. energy: -0.945
local terms energy: -270.424484
where:
bonds (distance) C4'-P energy: -59.211
bonds (distance) P-C4' energy: -53.212
flat angles C4'-P-C4' energy: -61.935
flat angles P-C4'-P energy: -50.603
tors. eta vs tors. theta energy: -45.464
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: 2
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -652.177696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.177696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.177696 (E_RNA)
where:
Base-Base interactions energy: -390.557
where: short stacking energy: -191.895
Base-Backbone interact. energy: -2.246
local terms energy: -259.374529
where:
bonds (distance) C4'-P energy: -54.518
bonds (distance) P-C4' energy: -58.860
flat angles C4'-P-C4' energy: -59.086
flat angles P-C4'-P energy: -35.154
tors. eta vs tors. theta energy: -51.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -473.789557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.789557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.789557 (E_RNA)
where:
Base-Base interactions energy: -266.667
where: short stacking energy: -157.856
Base-Backbone interact. energy: 0.140
local terms energy: -207.262781
where:
bonds (distance) C4'-P energy: -49.659
bonds (distance) P-C4' energy: -49.774
flat angles C4'-P-C4' energy: -53.921
flat angles P-C4'-P energy: -36.616
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -342.303471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.303471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.303471 (E_RNA)
where:
Base-Base interactions energy: -176.294
where: short stacking energy: -99.424
Base-Backbone interact. energy: -1.910
local terms energy: -164.098926
where:
bonds (distance) C4'-P energy: -54.510
bonds (distance) P-C4' energy: -48.023
flat angles C4'-P-C4' energy: -34.717
flat angles P-C4'-P energy: -30.672
tors. eta vs tors. theta energy: 3.823
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: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -263.782523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.782523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.782523 (E_RNA)
where:
Base-Base interactions energy: -111.310
where: short stacking energy: -82.256
Base-Backbone interact. energy: -1.457
local terms energy: -151.014907
where:
bonds (distance) C4'-P energy: -53.293
bonds (distance) P-C4' energy: -50.775
flat angles C4'-P-C4' energy: -45.063
flat angles P-C4'-P energy: -16.116
tors. eta vs tors. theta energy: 14.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1072.564667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.564667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.564667 (E_RNA)
where:
Base-Base interactions energy: -752.110
where: short stacking energy: -317.902
Base-Backbone interact. energy: -3.947
local terms energy: -316.507063
where:
bonds (distance) C4'-P energy: -48.436
bonds (distance) P-C4' energy: -67.729
flat angles C4'-P-C4' energy: -64.444
flat angles P-C4'-P energy: -50.833
tors. eta vs tors. theta energy: -85.064
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: 2, replica: 4
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1039.652153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.652153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.652153 (E_RNA)
where:
Base-Base interactions energy: -714.633
where: short stacking energy: -302.092
Base-Backbone interact. energy: 3.821
local terms energy: -328.839697
where:
bonds (distance) C4'-P energy: -71.822
bonds (distance) P-C4' energy: -60.007
flat angles C4'-P-C4' energy: -71.527
flat angles P-C4'-P energy: -44.456
tors. eta vs tors. theta energy: -81.028
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: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -947.965470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.965470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.965470 (E_RNA)
where:
Base-Base interactions energy: -633.504
where: short stacking energy: -249.736
Base-Backbone interact. energy: -1.819
local terms energy: -312.643159
where:
bonds (distance) C4'-P energy: -62.410
bonds (distance) P-C4' energy: -66.950
flat angles C4'-P-C4' energy: -71.834
flat angles P-C4'-P energy: -42.493
tors. eta vs tors. theta energy: -68.957
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: 10
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -902.098286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.098286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.098286 (E_RNA)
where:
Base-Base interactions energy: -594.075
where: short stacking energy: -300.602
Base-Backbone interact. energy: 1.108
local terms energy: -309.131313
where:
bonds (distance) C4'-P energy: -65.755
bonds (distance) P-C4' energy: -60.042
flat angles C4'-P-C4' energy: -69.923
flat angles P-C4'-P energy: -36.076
tors. eta vs tors. theta energy: -77.335
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: 5, replica: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -778.245377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.245377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.245377 (E_RNA)
where:
Base-Base interactions energy: -487.592
where: short stacking energy: -216.551
Base-Backbone interact. energy: 2.665
local terms energy: -293.318733
where:
bonds (distance) C4'-P energy: -64.028
bonds (distance) P-C4' energy: -63.438
flat angles C4'-P-C4' energy: -61.349
flat angles P-C4'-P energy: -47.626
tors. eta vs tors. theta energy: -56.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -698.261650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.261650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.261650 (E_RNA)
where:
Base-Base interactions energy: -422.583
where: short stacking energy: -201.158
Base-Backbone interact. energy: -0.839
local terms energy: -274.839350
where:
bonds (distance) C4'-P energy: -61.312
bonds (distance) P-C4' energy: -70.783
flat angles C4'-P-C4' energy: -64.398
flat angles P-C4'-P energy: -39.131
tors. eta vs tors. theta energy: -39.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -624.299040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.299040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.299040 (E_RNA)
where:
Base-Base interactions energy: -381.659
where: short stacking energy: -185.146
Base-Backbone interact. energy: -1.862
local terms energy: -240.778852
where:
bonds (distance) C4'-P energy: -40.712
bonds (distance) P-C4' energy: -63.935
flat angles C4'-P-C4' energy: -57.107
flat angles P-C4'-P energy: -30.299
tors. eta vs tors. theta energy: -48.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -485.332636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.332636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.332636 (E_RNA)
where:
Base-Base interactions energy: -270.868
where: short stacking energy: -142.290
Base-Backbone interact. energy: 2.470
local terms energy: -216.933727
where:
bonds (distance) C4'-P energy: -48.973
bonds (distance) P-C4' energy: -60.896
flat angles C4'-P-C4' energy: -55.242
flat angles P-C4'-P energy: -28.770
tors. eta vs tors. theta energy: -23.052
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: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -347.976129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.976129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.976129 (E_RNA)
where:
Base-Base interactions energy: -157.055
where: short stacking energy: -95.966
Base-Backbone interact. energy: -1.178
local terms energy: -189.742564
where:
bonds (distance) C4'-P energy: -50.395
bonds (distance) P-C4' energy: -60.850
flat angles C4'-P-C4' energy: -49.945
flat angles P-C4'-P energy: -25.318
tors. eta vs tors. theta energy: -3.235
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: 10, replica: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -278.723334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.723334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.723334 (E_RNA)
where:
Base-Base interactions energy: -95.064
where: short stacking energy: -78.483
Base-Backbone interact. energy: 0.575
local terms energy: -184.234449
where:
bonds (distance) C4'-P energy: -54.437
bonds (distance) P-C4' energy: -51.068
flat angles C4'-P-C4' energy: -43.027
flat angles P-C4'-P energy: -30.434
tors. eta vs tors. theta energy: -5.268
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: 1, replica: 8
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1073.170170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.170170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.170170 (E_RNA)
where:
Base-Base interactions energy: -744.095
where: short stacking energy: -324.136
Base-Backbone interact. energy: -4.734
local terms energy: -324.340896
where:
bonds (distance) C4'-P energy: -64.977
bonds (distance) P-C4' energy: -61.476
flat angles C4'-P-C4' energy: -71.739
flat angles P-C4'-P energy: -46.471
tors. eta vs tors. theta energy: -79.678
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: 4
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1053.750308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.750308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.750308 (E_RNA)
where:
Base-Base interactions energy: -728.188
where: short stacking energy: -308.427
Base-Backbone interact. energy: -2.342
local terms energy: -323.220041
where:
bonds (distance) C4'-P energy: -52.312
bonds (distance) P-C4' energy: -61.843
flat angles C4'-P-C4' energy: -77.538
flat angles P-C4'-P energy: -42.760
tors. eta vs tors. theta energy: -88.767
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: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -969.206069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.206069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.206069 (E_RNA)
where:
Base-Base interactions energy: -643.676
where: short stacking energy: -255.666
Base-Backbone interact. energy: -1.898
local terms energy: -323.631746
where:
bonds (distance) C4'-P energy: -67.508
bonds (distance) P-C4' energy: -66.609
flat angles C4'-P-C4' energy: -73.404
flat angles P-C4'-P energy: -46.885
tors. eta vs tors. theta energy: -69.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -894.744356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.744356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.744356 (E_RNA)
where:
Base-Base interactions energy: -591.986
where: short stacking energy: -276.500
Base-Backbone interact. energy: -0.947
local terms energy: -301.811241
where:
bonds (distance) C4'-P energy: -55.289
bonds (distance) P-C4' energy: -62.551
flat angles C4'-P-C4' energy: -62.180
flat angles P-C4'-P energy: -39.348
tors. eta vs tors. theta energy: -82.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -788.897865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.897865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.897865 (E_RNA)
where:
Base-Base interactions energy: -498.712
where: short stacking energy: -235.261
Base-Backbone interact. energy: -1.020
local terms energy: -289.166544
where:
bonds (distance) C4'-P energy: -48.868
bonds (distance) P-C4' energy: -61.583
flat angles C4'-P-C4' energy: -69.423
flat angles P-C4'-P energy: -48.130
tors. eta vs tors. theta energy: -61.163
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: 5
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -707.751125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.751125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.751125 (E_RNA)
where:
Base-Base interactions energy: -449.916
where: short stacking energy: -213.127
Base-Backbone interact. energy: 2.167
local terms energy: -260.001998
where:
bonds (distance) C4'-P energy: -63.224
bonds (distance) P-C4' energy: -57.383
flat angles C4'-P-C4' energy: -64.803
flat angles P-C4'-P energy: -32.206
tors. eta vs tors. theta energy: -42.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -591.066703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.066703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.066703 (E_RNA)
where:
Base-Base interactions energy: -351.125
where: short stacking energy: -183.306
Base-Backbone interact. energy: 2.908
local terms energy: -242.850365
where:
bonds (distance) C4'-P energy: -55.468
bonds (distance) P-C4' energy: -51.924
flat angles C4'-P-C4' energy: -56.422
flat angles P-C4'-P energy: -39.987
tors. eta vs tors. theta energy: -39.050
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: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -457.487405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.487405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.487405 (E_RNA)
where:
Base-Base interactions energy: -240.326
where: short stacking energy: -125.902
Base-Backbone interact. energy: -2.046
local terms energy: -215.115418
where:
bonds (distance) C4'-P energy: -57.993
bonds (distance) P-C4' energy: -64.835
flat angles C4'-P-C4' energy: -48.855
flat angles P-C4'-P energy: -37.734
tors. eta vs tors. theta energy: -5.698
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: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -372.738937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.738937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.738937 (E_RNA)
where:
Base-Base interactions energy: -165.348
where: short stacking energy: -91.590
Base-Backbone interact. energy: -3.579
local terms energy: -203.812180
where:
bonds (distance) C4'-P energy: -57.007
bonds (distance) P-C4' energy: -67.100
flat angles C4'-P-C4' energy: -48.398
flat angles P-C4'-P energy: -27.922
tors. eta vs tors. theta energy: -3.385
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: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -265.600485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.600485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.600485 (E_RNA)
where:
Base-Base interactions energy: -100.045
where: short stacking energy: -77.289
Base-Backbone interact. energy: -0.635
local terms energy: -164.921131
where:
bonds (distance) C4'-P energy: -50.897
bonds (distance) P-C4' energy: -62.139
flat angles C4'-P-C4' energy: -26.513
flat angles P-C4'-P energy: -27.030
tors. eta vs tors. theta energy: 1.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1067.173728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.173728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.173728 (E_RNA)
where:
Base-Base interactions energy: -718.126
where: short stacking energy: -310.573
Base-Backbone interact. energy: -1.682
local terms energy: -347.365804
where:
bonds (distance) C4'-P energy: -63.454
bonds (distance) P-C4' energy: -72.967
flat angles C4'-P-C4' energy: -68.067
flat angles P-C4'-P energy: -58.645
tors. eta vs tors. theta energy: -84.233
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: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1054.160124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.160124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.160124 (E_RNA)
where:
Base-Base interactions energy: -703.117
where: short stacking energy: -308.787
Base-Backbone interact. energy: -2.925
local terms energy: -349.401930
where:
bonds (distance) C4'-P energy: -66.798
bonds (distance) P-C4' energy: -68.878
flat angles C4'-P-C4' energy: -74.761
flat angles P-C4'-P energy: -50.723
tors. eta vs tors. theta energy: -88.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.284 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -962.833243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.833243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.833243 (E_RNA)
where:
Base-Base interactions energy: -648.734
where: short stacking energy: -298.305
Base-Backbone interact. energy: -4.150
local terms energy: -309.949535
where:
bonds (distance) C4'-P energy: -63.944
bonds (distance) P-C4' energy: -60.667
flat angles C4'-P-C4' energy: -63.657
flat angles P-C4'-P energy: -46.151
tors. eta vs tors. theta energy: -75.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -884.300960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.300960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.300960 (E_RNA)
where:
Base-Base interactions energy: -570.080
where: short stacking energy: -252.022
Base-Backbone interact. energy: -1.290
local terms energy: -312.930543
where:
bonds (distance) C4'-P energy: -67.909
bonds (distance) P-C4' energy: -59.748
flat angles C4'-P-C4' energy: -70.258
flat angles P-C4'-P energy: -46.077
tors. eta vs tors. theta energy: -68.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -829.231753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.231753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.231753 (E_RNA)
where:
Base-Base interactions energy: -540.574
where: short stacking energy: -252.995
Base-Backbone interact. energy: -2.203
local terms energy: -286.454661
where:
bonds (distance) C4'-P energy: -60.546
bonds (distance) P-C4' energy: -68.854
flat angles C4'-P-C4' energy: -54.552
flat angles P-C4'-P energy: -33.344
tors. eta vs tors. theta energy: -69.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -733.072949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.072949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.072949 (E_RNA)
where:
Base-Base interactions energy: -464.840
where: short stacking energy: -211.236
Base-Backbone interact. energy: -1.370
local terms energy: -266.863381
where:
bonds (distance) C4'-P energy: -65.091
bonds (distance) P-C4' energy: -60.302
flat angles C4'-P-C4' energy: -56.583
flat angles P-C4'-P energy: -34.788
tors. eta vs tors. theta energy: -50.099
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: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -622.788673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.788673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.788673 (E_RNA)
where:
Base-Base interactions energy: -366.594
where: short stacking energy: -190.353
Base-Backbone interact. energy: -0.619
local terms energy: -255.575457
where:
bonds (distance) C4'-P energy: -69.692
bonds (distance) P-C4' energy: -53.566
flat angles C4'-P-C4' energy: -59.271
flat angles P-C4'-P energy: -36.945
tors. eta vs tors. theta energy: -36.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -439.308335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.308335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.308335 (E_RNA)
where:
Base-Base interactions energy: -222.688
where: short stacking energy: -116.422
Base-Backbone interact. energy: -3.559
local terms energy: -213.061719
where:
bonds (distance) C4'-P energy: -51.111
bonds (distance) P-C4' energy: -60.215
flat angles C4'-P-C4' energy: -63.463
flat angles P-C4'-P energy: -32.807
tors. eta vs tors. theta energy: -5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -366.192237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.192237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.192237 (E_RNA)
where:
Base-Base interactions energy: -174.022
where: short stacking energy: -104.072
Base-Backbone interact. energy: -0.085
local terms energy: -192.744783
where:
bonds (distance) C4'-P energy: -54.600
bonds (distance) P-C4' energy: -59.856
flat angles C4'-P-C4' energy: -61.935
flat angles P-C4'-P energy: -18.313
tors. eta vs tors. theta energy: 1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.660 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -295.262981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.262981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.262981 (E_RNA)
where:
Base-Base interactions energy: -108.210
where: short stacking energy: -96.597
Base-Backbone interact. energy: -0.993
local terms energy: -186.060550
where:
bonds (distance) C4'-P energy: -52.618
bonds (distance) P-C4' energy: -61.504
flat angles C4'-P-C4' energy: -47.538
flat angles P-C4'-P energy: -31.402
tors. eta vs tors. theta energy: 7.001
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: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1054.847764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.847764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.847764 (E_RNA)
where:
Base-Base interactions energy: -712.205
where: short stacking energy: -319.155
Base-Backbone interact. energy: -2.078
local terms energy: -340.564724
where:
bonds (distance) C4'-P energy: -67.930
bonds (distance) P-C4' energy: -71.080
flat angles C4'-P-C4' energy: -70.285
flat angles P-C4'-P energy: -43.634
tors. eta vs tors. theta energy: -87.635
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: 306
Temperature: 0.950000
Total energy: -1059.846659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.846659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.846659 (E_RNA)
where:
Base-Base interactions energy: -728.500
where: short stacking energy: -303.419
Base-Backbone interact. energy: -3.427
local terms energy: -327.919249
where:
bonds (distance) C4'-P energy: -61.435
bonds (distance) P-C4' energy: -63.156
flat angles C4'-P-C4' energy: -72.852
flat angles P-C4'-P energy: -45.646
tors. eta vs tors. theta energy: -84.830
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: 9
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -940.488435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.488435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.488435 (E_RNA)
where:
Base-Base interactions energy: -632.102
where: short stacking energy: -276.265
Base-Backbone interact. energy: -1.532
local terms energy: -306.854540
where:
bonds (distance) C4'-P energy: -62.465
bonds (distance) P-C4' energy: -61.902
flat angles C4'-P-C4' energy: -63.320
flat angles P-C4'-P energy: -43.259
tors. eta vs tors. theta energy: -75.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -864.855559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.855559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.855559 (E_RNA)
where:
Base-Base interactions energy: -575.055
where: short stacking energy: -241.810
Base-Backbone interact. energy: -1.400
local terms energy: -288.400355
where:
bonds (distance) C4'-P energy: -54.707
bonds (distance) P-C4' energy: -55.996
flat angles C4'-P-C4' energy: -63.110
flat angles P-C4'-P energy: -40.086
tors. eta vs tors. theta energy: -74.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -801.051372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.051372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.051372 (E_RNA)
where:
Base-Base interactions energy: -509.763
where: short stacking energy: -240.848
Base-Backbone interact. energy: -0.840
local terms energy: -290.448714
where:
bonds (distance) C4'-P energy: -51.259
bonds (distance) P-C4' energy: -66.351
flat angles C4'-P-C4' energy: -58.358
flat angles P-C4'-P energy: -46.312
tors. eta vs tors. theta energy: -68.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -733.513852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.513852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.513852 (E_RNA)
where:
Base-Base interactions energy: -479.486
where: short stacking energy: -220.971
Base-Backbone interact. energy: 2.577
local terms energy: -256.605246
where:
bonds (distance) C4'-P energy: -55.134
bonds (distance) P-C4' energy: -55.654
flat angles C4'-P-C4' energy: -48.980
flat angles P-C4'-P energy: -43.725
tors. eta vs tors. theta energy: -53.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -617.391821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.391821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.391821 (E_RNA)
where:
Base-Base interactions energy: -384.110
where: short stacking energy: -198.350
Base-Backbone interact. energy: 1.843
local terms energy: -235.125582
where:
bonds (distance) C4'-P energy: -64.369
bonds (distance) P-C4' energy: -48.093
flat angles C4'-P-C4' energy: -50.918
flat angles P-C4'-P energy: -24.122
tors. eta vs tors. theta energy: -47.623
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: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -457.455130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.455130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.455130 (E_RNA)
where:
Base-Base interactions energy: -259.652
where: short stacking energy: -141.206
Base-Backbone interact. energy: -0.359
local terms energy: -197.444337
where:
bonds (distance) C4'-P energy: -49.481
bonds (distance) P-C4' energy: -53.470
flat angles C4'-P-C4' energy: -46.334
flat angles P-C4'-P energy: -33.048
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -371.056211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.056211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.056211 (E_RNA)
where:
Base-Base interactions energy: -194.661
where: short stacking energy: -116.539
Base-Backbone interact. energy: -1.414
local terms energy: -174.981134
where:
bonds (distance) C4'-P energy: -36.708
bonds (distance) P-C4' energy: -53.483
flat angles C4'-P-C4' energy: -55.429
flat angles P-C4'-P energy: -21.025
tors. eta vs tors. theta energy: -8.336
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: 10, replica: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -277.920813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.920813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.920813 (E_RNA)
where:
Base-Base interactions energy: -101.762
where: short stacking energy: -81.356
Base-Backbone interact. energy: -0.742
local terms energy: -175.417233
where:
bonds (distance) C4'-P energy: -55.014
bonds (distance) P-C4' energy: -49.094
flat angles C4'-P-C4' energy: -55.150
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: 1.702
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: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1074.776426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.776426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.776426 (E_RNA)
where:
Base-Base interactions energy: -716.304
where: short stacking energy: -306.345
Base-Backbone interact. energy: -4.520
local terms energy: -353.952119
where:
bonds (distance) C4'-P energy: -70.911
bonds (distance) P-C4' energy: -68.734
flat angles C4'-P-C4' energy: -70.132
flat angles P-C4'-P energy: -55.841
tors. eta vs tors. theta energy: -88.334
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: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1040.778999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.778999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.778999 (E_RNA)
where:
Base-Base interactions energy: -724.962
where: short stacking energy: -293.529
Base-Backbone interact. energy: -4.263
local terms energy: -311.554167
where:
bonds (distance) C4'-P energy: -48.436
bonds (distance) P-C4' energy: -62.473
flat angles C4'-P-C4' energy: -67.115
flat angles P-C4'-P energy: -49.049
tors. eta vs tors. theta energy: -84.481
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: 307
Temperature: 1.000000
Total energy: -966.087220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.087220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.087220 (E_RNA)
where:
Base-Base interactions energy: -640.141
where: short stacking energy: -281.388
Base-Backbone interact. energy: -1.732
local terms energy: -324.213854
where:
bonds (distance) C4'-P energy: -62.329
bonds (distance) P-C4' energy: -64.308
flat angles C4'-P-C4' energy: -70.377
flat angles P-C4'-P energy: -52.372
tors. eta vs tors. theta energy: -74.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -895.073080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.073080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.073080 (E_RNA)
where:
Base-Base interactions energy: -584.261
where: short stacking energy: -278.267
Base-Backbone interact. energy: -1.887
local terms energy: -308.925189
where:
bonds (distance) C4'-P energy: -52.964
bonds (distance) P-C4' energy: -61.428
flat angles C4'-P-C4' energy: -61.693
flat angles P-C4'-P energy: -54.700
tors. eta vs tors. theta energy: -78.141
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: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -735.852409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.852409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.852409 (E_RNA)
where:
Base-Base interactions energy: -464.039
where: short stacking energy: -227.815
Base-Backbone interact. energy: -2.239
local terms energy: -269.574567
where:
bonds (distance) C4'-P energy: -51.408
bonds (distance) P-C4' energy: -67.566
flat angles C4'-P-C4' energy: -61.727
flat angles P-C4'-P energy: -35.990
tors. eta vs tors. theta energy: -52.884
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: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -766.234391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.234391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.234391 (E_RNA)
where:
Base-Base interactions energy: -495.066
where: short stacking energy: -216.259
Base-Backbone interact. energy: 2.716
local terms energy: -273.884145
where:
bonds (distance) C4'-P energy: -54.990
bonds (distance) P-C4' energy: -63.142
flat angles C4'-P-C4' energy: -59.911
flat angles P-C4'-P energy: -43.224
tors. eta vs tors. theta energy: -52.618
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: 2
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -608.792308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.792308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.792308 (E_RNA)
where:
Base-Base interactions energy: -356.077
where: short stacking energy: -179.334
Base-Backbone interact. energy: -0.877
local terms energy: -251.838365
where:
bonds (distance) C4'-P energy: -59.051
bonds (distance) P-C4' energy: -58.563
flat angles C4'-P-C4' energy: -57.642
flat angles P-C4'-P energy: -30.397
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: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -470.116423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.116423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.116423 (E_RNA)
where:
Base-Base interactions energy: -247.570
where: short stacking energy: -133.482
Base-Backbone interact. energy: -0.344
local terms energy: -222.203003
where:
bonds (distance) C4'-P energy: -47.257
bonds (distance) P-C4' energy: -58.384
flat angles C4'-P-C4' energy: -53.670
flat angles P-C4'-P energy: -34.430
tors. eta vs tors. theta energy: -28.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -367.796293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.796293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.796293 (E_RNA)
where:
Base-Base interactions energy: -175.102
where: short stacking energy: -119.264
Base-Backbone interact. energy: -0.629
local terms energy: -192.064983
where:
bonds (distance) C4'-P energy: -50.667
bonds (distance) P-C4' energy: -50.944
flat angles C4'-P-C4' energy: -54.041
flat angles P-C4'-P energy: -36.384
tors. eta vs tors. theta energy: -0.028
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: 10, replica: 3
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -291.304399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.304399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.304399 (E_RNA)
where:
Base-Base interactions energy: -133.767
where: short stacking energy: -97.307
Base-Backbone interact. energy: -2.670
local terms energy: -154.879242
where:
bonds (distance) C4'-P energy: -49.485
bonds (distance) P-C4' energy: -55.889
flat angles C4'-P-C4' energy: -30.548
flat angles P-C4'-P energy: -27.522
tors. eta vs tors. theta energy: 8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.012 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1065.985379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.985379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.985379 (E_RNA)
where:
Base-Base interactions energy: -722.496
where: short stacking energy: -322.019
Base-Backbone interact. energy: -0.749
local terms energy: -342.739901
where:
bonds (distance) C4'-P energy: -64.065
bonds (distance) P-C4' energy: -70.376
flat angles C4'-P-C4' energy: -76.057
flat angles P-C4'-P energy: -41.635
tors. eta vs tors. theta energy: -90.607
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: 308
Temperature: 0.950000
Total energy: -1052.608233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.608233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.608233 (E_RNA)
where:
Base-Base interactions energy: -718.022
where: short stacking energy: -297.934
Base-Backbone interact. energy: -0.052
local terms energy: -334.533599
where:
bonds (distance) C4'-P energy: -59.539
bonds (distance) P-C4' energy: -75.502
flat angles C4'-P-C4' energy: -69.994
flat angles P-C4'-P energy: -45.904
tors. eta vs tors. theta energy: -83.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -957.484360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.484360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.484360 (E_RNA)
where:
Base-Base interactions energy: -644.515
where: short stacking energy: -272.789
Base-Backbone interact. energy: -2.629
local terms energy: -310.341256
where:
bonds (distance) C4'-P energy: -48.364
bonds (distance) P-C4' energy: -54.733
flat angles C4'-P-C4' energy: -77.362
flat angles P-C4'-P energy: -46.565
tors. eta vs tors. theta energy: -83.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -917.617697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.617697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.617697 (E_RNA)
where:
Base-Base interactions energy: -605.131
where: short stacking energy: -291.927
Base-Backbone interact. energy: -0.446
local terms energy: -312.966598
where:
bonds (distance) C4'-P energy: -56.680
bonds (distance) P-C4' energy: -66.369
flat angles C4'-P-C4' energy: -65.367
flat angles P-C4'-P energy: -39.230
tors. eta vs tors. theta energy: -85.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.926 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -777.827528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.827528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.827528 (E_RNA)
where:
Base-Base interactions energy: -497.268
where: short stacking energy: -236.649
Base-Backbone interact. energy: -0.463
local terms energy: -280.097281
where:
bonds (distance) C4'-P energy: -58.787
bonds (distance) P-C4' energy: -59.405
flat angles C4'-P-C4' energy: -61.447
flat angles P-C4'-P energy: -42.639
tors. eta vs tors. theta energy: -57.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -715.820880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.820880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.820880 (E_RNA)
where:
Base-Base interactions energy: -449.697
where: short stacking energy: -192.953
Base-Backbone interact. energy: -1.675
local terms energy: -264.448559
where:
bonds (distance) C4'-P energy: -51.973
bonds (distance) P-C4' energy: -64.655
flat angles C4'-P-C4' energy: -65.019
flat angles P-C4'-P energy: -32.635
tors. eta vs tors. theta energy: -50.166
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: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -595.475128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.475128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.475128 (E_RNA)
where:
Base-Base interactions energy: -367.305
where: short stacking energy: -182.972
Base-Backbone interact. energy: -0.741
local terms energy: -227.429480
where:
bonds (distance) C4'-P energy: -46.657
bonds (distance) P-C4' energy: -50.172
flat angles C4'-P-C4' energy: -55.100
flat angles P-C4'-P energy: -39.054
tors. eta vs tors. theta energy: -36.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -490.131123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.131123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.131123 (E_RNA)
where:
Base-Base interactions energy: -288.217
where: short stacking energy: -140.971
Base-Backbone interact. energy: -3.121
local terms energy: -198.793093
where:
bonds (distance) C4'-P energy: -41.327
bonds (distance) P-C4' energy: -61.700
flat angles C4'-P-C4' energy: -43.591
flat angles P-C4'-P energy: -31.327
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -343.542617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.542617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.542617 (E_RNA)
where:
Base-Base interactions energy: -133.479
where: short stacking energy: -89.231
Base-Backbone interact. energy: -1.335
local terms energy: -208.728252
where:
bonds (distance) C4'-P energy: -55.020
bonds (distance) P-C4' energy: -60.483
flat angles C4'-P-C4' energy: -53.876
flat angles P-C4'-P energy: -34.067
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -261.906615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.906615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.906615 (E_RNA)
where:
Base-Base interactions energy: -87.363
where: short stacking energy: -75.760
Base-Backbone interact. energy: 1.065
local terms energy: -175.608135
where:
bonds (distance) C4'-P energy: -55.623
bonds (distance) P-C4' energy: -57.939
flat angles C4'-P-C4' energy: -51.953
flat angles P-C4'-P energy: -23.269
tors. eta vs tors. theta energy: 13.176
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: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1053.226972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.226972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.226972 (E_RNA)
where:
Base-Base interactions energy: -721.657
where: short stacking energy: -303.898
Base-Backbone interact. energy: -5.275
local terms energy: -326.294669
where:
bonds (distance) C4'-P energy: -53.149
bonds (distance) P-C4' energy: -72.209
flat angles C4'-P-C4' energy: -69.200
flat angles P-C4'-P energy: -46.698
tors. eta vs tors. theta energy: -85.039
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: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1032.586761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.586761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.586761 (E_RNA)
where:
Base-Base interactions energy: -704.959
where: short stacking energy: -306.602
Base-Backbone interact. energy: -1.576
local terms energy: -326.052283
where:
bonds (distance) C4'-P energy: -63.515
bonds (distance) P-C4' energy: -60.765
flat angles C4'-P-C4' energy: -67.233
flat angles P-C4'-P energy: -45.372
tors. eta vs tors. theta energy: -89.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -924.617340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.617340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.617340 (E_RNA)
where:
Base-Base interactions energy: -619.400
where: short stacking energy: -277.588
Base-Backbone interact. energy: -0.070
local terms energy: -305.146644
where:
bonds (distance) C4'-P energy: -64.269
bonds (distance) P-C4' energy: -57.106
flat angles C4'-P-C4' energy: -64.708
flat angles P-C4'-P energy: -42.135
tors. eta vs tors. theta energy: -76.929
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: 309
Temperature: 1.050000
Total energy: -893.828929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.828929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.828929 (E_RNA)
where:
Base-Base interactions energy: -594.401
where: short stacking energy: -281.584
Base-Backbone interact. energy: 0.214
local terms energy: -299.642020
where:
bonds (distance) C4'-P energy: -47.691
bonds (distance) P-C4' energy: -53.595
flat angles C4'-P-C4' energy: -58.421
flat angles P-C4'-P energy: -52.804
tors. eta vs tors. theta energy: -87.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -777.832848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.832848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.832848 (E_RNA)
where:
Base-Base interactions energy: -486.595
where: short stacking energy: -232.219
Base-Backbone interact. energy: -1.208
local terms energy: -290.029422
where:
bonds (distance) C4'-P energy: -52.807
bonds (distance) P-C4' energy: -62.167
flat angles C4'-P-C4' energy: -58.365
flat angles P-C4'-P energy: -44.894
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: 6, replica: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -732.047740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.047740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.047740 (E_RNA)
where:
Base-Base interactions energy: -459.614
where: short stacking energy: -218.865
Base-Backbone interact. energy: -1.689
local terms energy: -270.744152
where:
bonds (distance) C4'-P energy: -51.744
bonds (distance) P-C4' energy: -67.050
flat angles C4'-P-C4' energy: -52.392
flat angles P-C4'-P energy: -42.152
tors. eta vs tors. theta energy: -57.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -605.513480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.513480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.513480 (E_RNA)
where:
Base-Base interactions energy: -362.973
where: short stacking energy: -199.339
Base-Backbone interact. energy: 0.009
local terms energy: -242.549034
where:
bonds (distance) C4'-P energy: -53.570
bonds (distance) P-C4' energy: -54.701
flat angles C4'-P-C4' energy: -63.297
flat angles P-C4'-P energy: -32.053
tors. eta vs tors. theta energy: -38.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -535.395601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.395601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.395601 (E_RNA)
where:
Base-Base interactions energy: -315.172
where: short stacking energy: -162.452
Base-Backbone interact. energy: -0.737
local terms energy: -219.485916
where:
bonds (distance) C4'-P energy: -47.339
bonds (distance) P-C4' energy: -61.447
flat angles C4'-P-C4' energy: -46.580
flat angles P-C4'-P energy: -32.432
tors. eta vs tors. theta energy: -31.689
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: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -355.071691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.071691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.071691 (E_RNA)
where:
Base-Base interactions energy: -163.664
where: short stacking energy: -100.817
Base-Backbone interact. energy: -1.265
local terms energy: -190.142993
where:
bonds (distance) C4'-P energy: -50.800
bonds (distance) P-C4' energy: -59.721
flat angles C4'-P-C4' energy: -47.876
flat angles P-C4'-P energy: -27.573
tors. eta vs tors. theta energy: -4.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -273.183985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.183985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.183985 (E_RNA)
where:
Base-Base interactions energy: -108.082
where: short stacking energy: -73.164
Base-Backbone interact. energy: 0.468
local terms energy: -165.569472
where:
bonds (distance) C4'-P energy: -53.165
bonds (distance) P-C4' energy: -49.061
flat angles C4'-P-C4' energy: -50.742
flat angles P-C4'-P energy: -26.919
tors. eta vs tors. theta energy: 14.318
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: 1, replica: 8
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1057.454152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.454152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.454152 (E_RNA)
where:
Base-Base interactions energy: -715.676
where: short stacking energy: -300.637
Base-Backbone interact. energy: -2.482
local terms energy: -339.296110
where:
bonds (distance) C4'-P energy: -56.287
bonds (distance) P-C4' energy: -63.026
flat angles C4'-P-C4' energy: -76.220
flat angles P-C4'-P energy: -53.057
tors. eta vs tors. theta energy: -90.706
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: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1028.678318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.678318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.678318 (E_RNA)
where:
Base-Base interactions energy: -686.304
where: short stacking energy: -295.283
Base-Backbone interact. energy: -4.846
local terms energy: -337.528321
where:
bonds (distance) C4'-P energy: -63.186
bonds (distance) P-C4' energy: -63.904
flat angles C4'-P-C4' energy: -69.318
flat angles P-C4'-P energy: -50.911
tors. eta vs tors. theta energy: -90.210
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: 10
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -937.587528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.587528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.587528 (E_RNA)
where:
Base-Base interactions energy: -605.441
where: short stacking energy: -282.104
Base-Backbone interact. energy: -1.309
local terms energy: -330.837623
where:
bonds (distance) C4'-P energy: -63.153
bonds (distance) P-C4' energy: -68.801
flat angles C4'-P-C4' energy: -69.781
flat angles P-C4'-P energy: -47.971
tors. eta vs tors. theta energy: -81.132
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: 310
Temperature: 1.050000
Total energy: -916.016340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.016340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.016340 (E_RNA)
where:
Base-Base interactions energy: -631.227
where: short stacking energy: -269.127
Base-Backbone interact. energy: -1.996
local terms energy: -282.793201
where:
bonds (distance) C4'-P energy: -67.233
bonds (distance) P-C4' energy: -52.653
flat angles C4'-P-C4' energy: -60.754
flat angles P-C4'-P energy: -39.528
tors. eta vs tors. theta energy: -62.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -770.392354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.392354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.392354 (E_RNA)
where:
Base-Base interactions energy: -488.988
where: short stacking energy: -236.457
Base-Backbone interact. energy: 0.123
local terms energy: -281.527483
where:
bonds (distance) C4'-P energy: -70.276
bonds (distance) P-C4' energy: -50.066
flat angles C4'-P-C4' energy: -63.246
flat angles P-C4'-P energy: -40.180
tors. eta vs tors. theta energy: -57.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -745.369462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.369462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.369462 (E_RNA)
where:
Base-Base interactions energy: -483.042
where: short stacking energy: -211.256
Base-Backbone interact. energy: -0.767
local terms energy: -261.559832
where:
bonds (distance) C4'-P energy: -51.180
bonds (distance) P-C4' energy: -61.448
flat angles C4'-P-C4' energy: -60.742
flat angles P-C4'-P energy: -39.461
tors. eta vs tors. theta energy: -48.728
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: 7, replica: 2
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -579.829574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.829574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.829574 (E_RNA)
where:
Base-Base interactions energy: -339.769
where: short stacking energy: -171.791
Base-Backbone interact. energy: 3.866
local terms energy: -243.927174
where:
bonds (distance) C4'-P energy: -57.817
bonds (distance) P-C4' energy: -65.403
flat angles C4'-P-C4' energy: -47.820
flat angles P-C4'-P energy: -34.116
tors. eta vs tors. theta energy: -38.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -527.910695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.910695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.910695 (E_RNA)
where:
Base-Base interactions energy: -320.856
where: short stacking energy: -143.458
Base-Backbone interact. energy: -1.692
local terms energy: -205.362450
where:
bonds (distance) C4'-P energy: -54.351
bonds (distance) P-C4' energy: -46.740
flat angles C4'-P-C4' energy: -57.970
flat angles P-C4'-P energy: -25.880
tors. eta vs tors. theta energy: -20.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -406.762093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.762093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.762093 (E_RNA)
where:
Base-Base interactions energy: -199.489
where: short stacking energy: -121.856
Base-Backbone interact. energy: -4.352
local terms energy: -202.921720
where:
bonds (distance) C4'-P energy: -59.313
bonds (distance) P-C4' energy: -52.785
flat angles C4'-P-C4' energy: -53.598
flat angles P-C4'-P energy: -33.760
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -316.128192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.128192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.128192 (E_RNA)
where:
Base-Base interactions energy: -138.810
where: short stacking energy: -93.000
Base-Backbone interact. energy: -1.506
local terms energy: -175.811594
where:
bonds (distance) C4'-P energy: -48.797
bonds (distance) P-C4' energy: -56.986
flat angles C4'-P-C4' energy: -36.871
flat angles P-C4'-P energy: -36.656
tors. eta vs tors. theta energy: 3.498
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: 8
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1055.749725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.749725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.749725 (E_RNA)
where:
Base-Base interactions energy: -723.432
where: short stacking energy: -316.212
Base-Backbone interact. energy: -2.156
local terms energy: -330.186600
where:
bonds (distance) C4'-P energy: -56.887
bonds (distance) P-C4' energy: -63.126
flat angles C4'-P-C4' energy: -75.490
flat angles P-C4'-P energy: -45.090
tors. eta vs tors. theta energy: -89.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.026 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1032.897831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.897831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.897831 (E_RNA)
where:
Base-Base interactions energy: -700.460
where: short stacking energy: -308.966
Base-Backbone interact. energy: -3.479
local terms energy: -328.959441
where:
bonds (distance) C4'-P energy: -60.546
bonds (distance) P-C4' energy: -63.787
flat angles C4'-P-C4' energy: -69.034
flat angles P-C4'-P energy: -44.384
tors. eta vs tors. theta energy: -91.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -962.222260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.222260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.222260 (E_RNA)
where:
Base-Base interactions energy: -632.766
where: short stacking energy: -296.540
Base-Backbone interact. energy: -1.463
local terms energy: -327.993757
where:
bonds (distance) C4'-P energy: -62.198
bonds (distance) P-C4' energy: -61.909
flat angles C4'-P-C4' energy: -72.384
flat angles P-C4'-P energy: -45.357
tors. eta vs tors. theta energy: -86.146
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: 311
Temperature: 1.050000
Total energy: -898.002467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.002467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.002467 (E_RNA)
where:
Base-Base interactions energy: -604.033
where: short stacking energy: -251.518
Base-Backbone interact. energy: -1.414
local terms energy: -292.555422
where:
bonds (distance) C4'-P energy: -71.933
bonds (distance) P-C4' energy: -51.696
flat angles C4'-P-C4' energy: -63.353
flat angles P-C4'-P energy: -38.537
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: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -808.799052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.799052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.799052 (E_RNA)
where:
Base-Base interactions energy: -511.311
where: short stacking energy: -264.187
Base-Backbone interact. energy: -0.645
local terms energy: -296.842730
where:
bonds (distance) C4'-P energy: -64.520
bonds (distance) P-C4' energy: -61.155
flat angles C4'-P-C4' energy: -64.396
flat angles P-C4'-P energy: -33.131
tors. eta vs tors. theta energy: -73.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -714.399943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.399943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.399943 (E_RNA)
where:
Base-Base interactions energy: -459.210
where: short stacking energy: -200.484
Base-Backbone interact. energy: -0.286
local terms energy: -254.903815
where:
bonds (distance) C4'-P energy: -55.371
bonds (distance) P-C4' energy: -54.656
flat angles C4'-P-C4' energy: -66.368
flat angles P-C4'-P energy: -34.781
tors. eta vs tors. theta energy: -43.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -580.406712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.406712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.406712 (E_RNA)
where:
Base-Base interactions energy: -360.293
where: short stacking energy: -188.968
Base-Backbone interact. energy: -0.729
local terms energy: -219.384955
where:
bonds (distance) C4'-P energy: -47.751
bonds (distance) P-C4' energy: -56.297
flat angles C4'-P-C4' energy: -49.118
flat angles P-C4'-P energy: -34.921
tors. eta vs tors. theta energy: -31.298
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: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -529.037228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.037228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.037228 (E_RNA)
where:
Base-Base interactions energy: -304.430
where: short stacking energy: -150.772
Base-Backbone interact. energy: -0.051
local terms energy: -224.555571
where:
bonds (distance) C4'-P energy: -59.507
bonds (distance) P-C4' energy: -60.759
flat angles C4'-P-C4' energy: -48.871
flat angles P-C4'-P energy: -29.577
tors. eta vs tors. theta energy: -25.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -381.545587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.545587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.545587 (E_RNA)
where:
Base-Base interactions energy: -204.418
where: short stacking energy: -105.257
Base-Backbone interact. energy: 9.470
local terms energy: -186.597471
where:
bonds (distance) C4'-P energy: -53.320
bonds (distance) P-C4' energy: -66.089
flat angles C4'-P-C4' energy: -49.112
flat angles P-C4'-P energy: -19.892
tors. eta vs tors. theta energy: 1.816
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: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -253.465607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.465607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.465607 (E_RNA)
where:
Base-Base interactions energy: -96.335
where: short stacking energy: -64.859
Base-Backbone interact. energy: 5.830
local terms energy: -162.959910
where:
bonds (distance) C4'-P energy: -57.670
bonds (distance) P-C4' energy: -59.045
flat angles C4'-P-C4' energy: -38.722
flat angles P-C4'-P energy: -23.570
tors. eta vs tors. theta energy: 16.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1083.015062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.015062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.015062 (E_RNA)
where:
Base-Base interactions energy: -730.099
where: short stacking energy: -330.460
Base-Backbone interact. energy: -1.389
local terms energy: -351.527066
where:
bonds (distance) C4'-P energy: -67.541
bonds (distance) P-C4' energy: -77.650
flat angles C4'-P-C4' energy: -70.502
flat angles P-C4'-P energy: -45.786
tors. eta vs tors. theta energy: -90.047
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: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1032.533729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.533729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.533729 (E_RNA)
where:
Base-Base interactions energy: -712.685
where: short stacking energy: -311.804
Base-Backbone interact. energy: -2.776
local terms energy: -317.654584
where:
bonds (distance) C4'-P energy: -60.887
bonds (distance) P-C4' energy: -67.292
flat angles C4'-P-C4' energy: -64.822
flat angles P-C4'-P energy: -44.556
tors. eta vs tors. theta energy: -80.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.582 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -937.477893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.477893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.477893 (E_RNA)
where:
Base-Base interactions energy: -625.309
where: short stacking energy: -265.244
Base-Backbone interact. energy: -1.542
local terms energy: -310.626186
where:
bonds (distance) C4'-P energy: -64.179
bonds (distance) P-C4' energy: -66.400
flat angles C4'-P-C4' energy: -63.857
flat angles P-C4'-P energy: -44.843
tors. eta vs tors. theta energy: -71.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -905.948115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.948115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.948115 (E_RNA)
where:
Base-Base interactions energy: -576.203
where: short stacking energy: -274.228
Base-Backbone interact. energy: 0.836
local terms energy: -330.580426
where:
bonds (distance) C4'-P energy: -59.466
bonds (distance) P-C4' energy: -62.139
flat angles C4'-P-C4' energy: -68.215
flat angles P-C4'-P energy: -53.505
tors. eta vs tors. theta energy: -87.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -771.633622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.633622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.633622 (E_RNA)
where:
Base-Base interactions energy: -501.160
where: short stacking energy: -222.979
Base-Backbone interact. energy: 0.731
local terms energy: -271.204956
where:
bonds (distance) C4'-P energy: -56.362
bonds (distance) P-C4' energy: -56.741
flat angles C4'-P-C4' energy: -59.811
flat angles P-C4'-P energy: -47.502
tors. eta vs tors. theta energy: -50.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -770.131085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.131085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.131085 (E_RNA)
where:
Base-Base interactions energy: -492.653
where: short stacking energy: -240.356
Base-Backbone interact. energy: 1.340
local terms energy: -278.818464
where:
bonds (distance) C4'-P energy: -54.075
bonds (distance) P-C4' energy: -48.736
flat angles C4'-P-C4' energy: -68.218
flat angles P-C4'-P energy: -43.319
tors. eta vs tors. theta energy: -64.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -554.266694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.266694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.266694 (E_RNA)
where:
Base-Base interactions energy: -314.224
where: short stacking energy: -177.231
Base-Backbone interact. energy: -0.241
local terms energy: -239.802035
where:
bonds (distance) C4'-P energy: -48.439
bonds (distance) P-C4' energy: -61.254
flat angles C4'-P-C4' energy: -56.441
flat angles P-C4'-P energy: -41.032
tors. eta vs tors. theta energy: -32.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -563.795084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.795084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.795084 (E_RNA)
where:
Base-Base interactions energy: -327.835
where: short stacking energy: -161.776
Base-Backbone interact. energy: -2.224
local terms energy: -233.735457
where:
bonds (distance) C4'-P energy: -55.732
bonds (distance) P-C4' energy: -46.088
flat angles C4'-P-C4' energy: -62.189
flat angles P-C4'-P energy: -31.551
tors. eta vs tors. theta energy: -38.176
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: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -417.534586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.534586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.534586 (E_RNA)
where:
Base-Base interactions energy: -233.405
where: short stacking energy: -145.112
Base-Backbone interact. energy: 2.868
local terms energy: -186.997451
where:
bonds (distance) C4'-P energy: -44.405
bonds (distance) P-C4' energy: -52.941
flat angles C4'-P-C4' energy: -44.269
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -22.423
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: 10, replica: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -277.416193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.416193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.416193 (E_RNA)
where:
Base-Base interactions energy: -121.707
where: short stacking energy: -86.393
Base-Backbone interact. energy: -1.882
local terms energy: -153.827483
where:
bonds (distance) C4'-P energy: -44.685
bonds (distance) P-C4' energy: -60.870
flat angles C4'-P-C4' energy: -49.714
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: 10.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1088.664287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.664287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.664287 (E_RNA)
where:
Base-Base interactions energy: -739.171
where: short stacking energy: -310.599
Base-Backbone interact. energy: -1.177
local terms energy: -348.316194
where:
bonds (distance) C4'-P energy: -69.490
bonds (distance) P-C4' energy: -77.608
flat angles C4'-P-C4' energy: -60.679
flat angles P-C4'-P energy: -53.952
tors. eta vs tors. theta energy: -86.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1029.576897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.576897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.576897 (E_RNA)
where:
Base-Base interactions energy: -709.030
where: short stacking energy: -318.462
Base-Backbone interact. energy: -2.216
local terms energy: -318.331173
where:
bonds (distance) C4'-P energy: -63.915
bonds (distance) P-C4' energy: -55.573
flat angles C4'-P-C4' energy: -67.401
flat angles P-C4'-P energy: -45.805
tors. eta vs tors. theta energy: -85.637
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: 9
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -936.789726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.789726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.789726 (E_RNA)
where:
Base-Base interactions energy: -620.582
where: short stacking energy: -271.854
Base-Backbone interact. energy: -3.537
local terms energy: -313.112290
where:
bonds (distance) C4'-P energy: -65.523
bonds (distance) P-C4' energy: -67.331
flat angles C4'-P-C4' energy: -70.861
flat angles P-C4'-P energy: -40.486
tors. eta vs tors. theta energy: -68.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.442 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -894.682855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.682855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.682855 (E_RNA)
where:
Base-Base interactions energy: -588.737
where: short stacking energy: -269.567
Base-Backbone interact. energy: -1.842
local terms energy: -304.103823
where:
bonds (distance) C4'-P energy: -51.922
bonds (distance) P-C4' energy: -69.225
flat angles C4'-P-C4' energy: -69.383
flat angles P-C4'-P energy: -41.934
tors. eta vs tors. theta energy: -71.640
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: 5
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -824.056534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.056534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.056534 (E_RNA)
where:
Base-Base interactions energy: -534.379
where: short stacking energy: -246.070
Base-Backbone interact. energy: 0.113
local terms energy: -289.790107
where:
bonds (distance) C4'-P energy: -58.676
bonds (distance) P-C4' energy: -66.215
flat angles C4'-P-C4' energy: -56.897
flat angles P-C4'-P energy: -44.016
tors. eta vs tors. theta energy: -63.985
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: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -706.029560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.029560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.029560 (E_RNA)
where:
Base-Base interactions energy: -447.659
where: short stacking energy: -186.122
Base-Backbone interact. energy: -1.140
local terms energy: -257.230794
where:
bonds (distance) C4'-P energy: -53.424
bonds (distance) P-C4' energy: -61.355
flat angles C4'-P-C4' energy: -68.637
flat angles P-C4'-P energy: -35.858
tors. eta vs tors. theta energy: -37.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -578.745427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.745427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.745427 (E_RNA)
where:
Base-Base interactions energy: -351.083
where: short stacking energy: -171.146
Base-Backbone interact. energy: -0.475
local terms energy: -227.188275
where:
bonds (distance) C4'-P energy: -57.418
bonds (distance) P-C4' energy: -61.960
flat angles C4'-P-C4' energy: -49.310
flat angles P-C4'-P energy: -34.075
tors. eta vs tors. theta energy: -24.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -603.283836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.283836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.283836 (E_RNA)
where:
Base-Base interactions energy: -369.932
where: short stacking energy: -177.027
Base-Backbone interact. energy: -1.490
local terms energy: -231.862287
where:
bonds (distance) C4'-P energy: -55.309
bonds (distance) P-C4' energy: -61.839
flat angles C4'-P-C4' energy: -44.324
flat angles P-C4'-P energy: -30.365
tors. eta vs tors. theta energy: -40.025
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: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -368.316371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.316371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.316371 (E_RNA)
where:
Base-Base interactions energy: -179.036
where: short stacking energy: -83.750
Base-Backbone interact. energy: 0.849
local terms energy: -190.129487
where:
bonds (distance) C4'-P energy: -63.542
bonds (distance) P-C4' energy: -57.775
flat angles C4'-P-C4' energy: -45.310
flat angles P-C4'-P energy: -32.877
tors. eta vs tors. theta energy: 9.375
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: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -245.349938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.349938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.349938 (E_RNA)
where:
Base-Base interactions energy: -79.178
where: short stacking energy: -75.936
Base-Backbone interact. energy: -0.798
local terms energy: -165.373586
where:
bonds (distance) C4'-P energy: -48.256
bonds (distance) P-C4' energy: -53.060
flat angles C4'-P-C4' energy: -40.636
flat angles P-C4'-P energy: -26.181
tors. eta vs tors. theta energy: 2.760
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: 1, replica: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1069.196180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.196180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.196180 (E_RNA)
where:
Base-Base interactions energy: -733.844
where: short stacking energy: -323.573
Base-Backbone interact. energy: -1.998
local terms energy: -333.736783
where:
bonds (distance) C4'-P energy: -63.568
bonds (distance) P-C4' energy: -66.534
flat angles C4'-P-C4' energy: -64.116
flat angles P-C4'-P energy: -46.201
tors. eta vs tors. theta energy: -93.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.383 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1050.055515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.055515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.055515 (E_RNA)
where:
Base-Base interactions energy: -714.968
where: short stacking energy: -307.809
Base-Backbone interact. energy: -0.694
local terms energy: -334.393475
where:
bonds (distance) C4'-P energy: -56.769
bonds (distance) P-C4' energy: -68.216
flat angles C4'-P-C4' energy: -77.926
flat angles P-C4'-P energy: -48.565
tors. eta vs tors. theta energy: -82.918
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: 9
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -958.523337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.523337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.523337 (E_RNA)
where:
Base-Base interactions energy: -654.661
where: short stacking energy: -275.454
Base-Backbone interact. energy: -0.816
local terms energy: -303.045862
where:
bonds (distance) C4'-P energy: -62.750
bonds (distance) P-C4' energy: -43.048
flat angles C4'-P-C4' energy: -64.885
flat angles P-C4'-P energy: -50.722
tors. eta vs tors. theta energy: -81.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -909.699215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.699215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.699215 (E_RNA)
where:
Base-Base interactions energy: -619.720
where: short stacking energy: -260.840
Base-Backbone interact. energy: -1.402
local terms energy: -288.576810
where:
bonds (distance) C4'-P energy: -54.855
bonds (distance) P-C4' energy: -51.144
flat angles C4'-P-C4' energy: -68.400
flat angles P-C4'-P energy: -43.065
tors. eta vs tors. theta energy: -71.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -825.296629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.296629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.296629 (E_RNA)
where:
Base-Base interactions energy: -553.233
where: short stacking energy: -224.136
Base-Backbone interact. energy: -0.846
local terms energy: -271.217123
where:
bonds (distance) C4'-P energy: -57.733
bonds (distance) P-C4' energy: -55.374
flat angles C4'-P-C4' energy: -67.617
flat angles P-C4'-P energy: -33.245
tors. eta vs tors. theta energy: -57.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -699.536980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.536980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.536980 (E_RNA)
where:
Base-Base interactions energy: -428.354
where: short stacking energy: -194.939
Base-Backbone interact. energy: -0.359
local terms energy: -270.824200
where:
bonds (distance) C4'-P energy: -60.181
bonds (distance) P-C4' energy: -64.395
flat angles C4'-P-C4' energy: -56.487
flat angles P-C4'-P energy: -45.252
tors. eta vs tors. theta energy: -44.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -597.818319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.818319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.818319 (E_RNA)
where:
Base-Base interactions energy: -347.555
where: short stacking energy: -184.668
Base-Backbone interact. energy: -0.131
local terms energy: -250.132860
where:
bonds (distance) C4'-P energy: -49.168
bonds (distance) P-C4' energy: -56.797
flat angles C4'-P-C4' energy: -59.241
flat angles P-C4'-P energy: -40.577
tors. eta vs tors. theta energy: -44.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -545.650898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.650898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.650898 (E_RNA)
where:
Base-Base interactions energy: -328.144
where: short stacking energy: -142.771
Base-Backbone interact. energy: -0.055
local terms energy: -217.451304
where:
bonds (distance) C4'-P energy: -50.634
bonds (distance) P-C4' energy: -47.412
flat angles C4'-P-C4' energy: -68.410
flat angles P-C4'-P energy: -26.143
tors. eta vs tors. theta energy: -24.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -398.970652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.970652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.970652 (E_RNA)
where:
Base-Base interactions energy: -211.494
where: short stacking energy: -129.236
Base-Backbone interact. energy: 4.096
local terms energy: -191.739709
where:
bonds (distance) C4'-P energy: -44.353
bonds (distance) P-C4' energy: -68.210
flat angles C4'-P-C4' energy: -50.104
flat angles P-C4'-P energy: -22.081
tors. eta vs tors. theta energy: -6.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.167 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -286.363028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.363028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.363028 (E_RNA)
where:
Base-Base interactions energy: -112.008
where: short stacking energy: -91.999
Base-Backbone interact. energy: 0.024
local terms energy: -174.379612
where:
bonds (distance) C4'-P energy: -50.735
bonds (distance) P-C4' energy: -53.402
flat angles C4'-P-C4' energy: -59.775
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: 4.808
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: 315
Temperature: 0.900000
Total energy: -1104.141033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.141033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.141033 (E_RNA)
where:
Base-Base interactions energy: -743.197
where: short stacking energy: -326.813
Base-Backbone interact. energy: -2.477
local terms energy: -358.998588
where:
bonds (distance) C4'-P energy: -73.303
bonds (distance) P-C4' energy: -69.630
flat angles C4'-P-C4' energy: -70.105
flat angles P-C4'-P energy: -53.468
tors. eta vs tors. theta energy: -92.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.532 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1047.926109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.926109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.926109 (E_RNA)
where:
Base-Base interactions energy: -721.308
where: short stacking energy: -308.266
Base-Backbone interact. energy: -2.465
local terms energy: -324.153389
where:
bonds (distance) C4'-P energy: -51.018
bonds (distance) P-C4' energy: -70.661
flat angles C4'-P-C4' energy: -68.606
flat angles P-C4'-P energy: -43.561
tors. eta vs tors. theta energy: -90.308
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: 9
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -982.923539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.923539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.923539 (E_RNA)
where:
Base-Base interactions energy: -658.335
where: short stacking energy: -282.079
Base-Backbone interact. energy: -0.772
local terms energy: -323.815824
where:
bonds (distance) C4'-P energy: -61.332
bonds (distance) P-C4' energy: -63.821
flat angles C4'-P-C4' energy: -69.147
flat angles P-C4'-P energy: -49.122
tors. eta vs tors. theta energy: -80.393
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: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -901.387423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.387423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.387423 (E_RNA)
where:
Base-Base interactions energy: -601.946
where: short stacking energy: -246.359
Base-Backbone interact. energy: -2.139
local terms energy: -297.301826
where:
bonds (distance) C4'-P energy: -56.616
bonds (distance) P-C4' energy: -67.026
flat angles C4'-P-C4' energy: -61.602
flat angles P-C4'-P energy: -47.512
tors. eta vs tors. theta energy: -64.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -854.537501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.537501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.537501 (E_RNA)
where:
Base-Base interactions energy: -573.106
where: short stacking energy: -259.402
Base-Backbone interact. energy: -2.765
local terms energy: -278.666281
where:
bonds (distance) C4'-P energy: -54.697
bonds (distance) P-C4' energy: -50.865
flat angles C4'-P-C4' energy: -61.359
flat angles P-C4'-P energy: -34.806
tors. eta vs tors. theta energy: -76.939
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: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -750.384422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.384422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.384422 (E_RNA)
where:
Base-Base interactions energy: -493.577
where: short stacking energy: -233.562
Base-Backbone interact. energy: -0.999
local terms energy: -255.808377
where:
bonds (distance) C4'-P energy: -51.258
bonds (distance) P-C4' energy: -59.187
flat angles C4'-P-C4' energy: -52.788
flat angles P-C4'-P energy: -33.917
tors. eta vs tors. theta energy: -58.658
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: 2
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -597.768277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.768277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.768277 (E_RNA)
where:
Base-Base interactions energy: -350.092
where: short stacking energy: -180.886
Base-Backbone interact. energy: -2.911
local terms energy: -244.765352
where:
bonds (distance) C4'-P energy: -58.144
bonds (distance) P-C4' energy: -47.793
flat angles C4'-P-C4' energy: -55.718
flat angles P-C4'-P energy: -43.058
tors. eta vs tors. theta energy: -40.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -546.920932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.920932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.920932 (E_RNA)
where:
Base-Base interactions energy: -328.463
where: short stacking energy: -156.209
Base-Backbone interact. energy: 0.016
local terms energy: -218.474111
where:
bonds (distance) C4'-P energy: -56.267
bonds (distance) P-C4' energy: -56.697
flat angles C4'-P-C4' energy: -45.971
flat angles P-C4'-P energy: -41.909
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -431.623734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.623734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.623734 (E_RNA)
where:
Base-Base interactions energy: -237.816
where: short stacking energy: -118.856
Base-Backbone interact. energy: -2.588
local terms energy: -191.218972
where:
bonds (distance) C4'-P energy: -43.532
bonds (distance) P-C4' energy: -59.213
flat angles C4'-P-C4' energy: -50.314
flat angles P-C4'-P energy: -28.124
tors. eta vs tors. theta energy: -10.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -286.949719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.949719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.949719 (E_RNA)
where:
Base-Base interactions energy: -116.568
where: short stacking energy: -85.605
Base-Backbone interact. energy: -1.303
local terms energy: -169.078480
where:
bonds (distance) C4'-P energy: -45.049
bonds (distance) P-C4' energy: -48.850
flat angles C4'-P-C4' energy: -47.306
flat angles P-C4'-P energy: -39.353
tors. eta vs tors. theta energy: 11.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1065.624698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.624698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.624698 (E_RNA)
where:
Base-Base interactions energy: -737.848
where: short stacking energy: -328.191
Base-Backbone interact. energy: -1.028
local terms energy: -328.216782
where:
bonds (distance) C4'-P energy: -50.906
bonds (distance) P-C4' energy: -74.373
flat angles C4'-P-C4' energy: -68.277
flat angles P-C4'-P energy: -39.476
tors. eta vs tors. theta energy: -95.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.468 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1044.355387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.355387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.355387 (E_RNA)
where:
Base-Base interactions energy: -707.885
where: short stacking energy: -296.746
Base-Backbone interact. energy: -1.583
local terms energy: -334.887226
where:
bonds (distance) C4'-P energy: -64.508
bonds (distance) P-C4' energy: -63.536
flat angles C4'-P-C4' energy: -74.736
flat angles P-C4'-P energy: -47.120
tors. eta vs tors. theta energy: -84.988
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: 9
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -963.061685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.061685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.061685 (E_RNA)
where:
Base-Base interactions energy: -668.003
where: short stacking energy: -255.813
Base-Backbone interact. energy: -1.324
local terms energy: -293.734544
where:
bonds (distance) C4'-P energy: -61.155
bonds (distance) P-C4' energy: -49.101
flat angles C4'-P-C4' energy: -71.707
flat angles P-C4'-P energy: -35.024
tors. eta vs tors. theta energy: -76.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -916.987578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.987578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.987578 (E_RNA)
where:
Base-Base interactions energy: -612.355
where: short stacking energy: -246.681
Base-Backbone interact. energy: 1.258
local terms energy: -305.890603
where:
bonds (distance) C4'-P energy: -68.733
bonds (distance) P-C4' energy: -59.344
flat angles C4'-P-C4' energy: -60.436
flat angles P-C4'-P energy: -46.076
tors. eta vs tors. theta energy: -71.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -847.785083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.785083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.785083 (E_RNA)
where:
Base-Base interactions energy: -559.322
where: short stacking energy: -234.233
Base-Backbone interact. energy: -0.591
local terms energy: -287.872371
where:
bonds (distance) C4'-P energy: -59.779
bonds (distance) P-C4' energy: -58.403
flat angles C4'-P-C4' energy: -61.015
flat angles P-C4'-P energy: -44.848
tors. eta vs tors. theta energy: -63.827
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: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -755.330898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.330898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.330898 (E_RNA)
where:
Base-Base interactions energy: -485.885
where: short stacking energy: -209.014
Base-Backbone interact. energy: -1.372
local terms energy: -268.073273
where:
bonds (distance) C4'-P energy: -62.852
bonds (distance) P-C4' energy: -58.258
flat angles C4'-P-C4' energy: -62.254
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: -43.481
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: 7, replica: 2
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -637.788132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.788132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.788132 (E_RNA)
where:
Base-Base interactions energy: -363.104
where: short stacking energy: -175.856
Base-Backbone interact. energy: -1.355
local terms energy: -273.328551
where:
bonds (distance) C4'-P energy: -65.862
bonds (distance) P-C4' energy: -65.869
flat angles C4'-P-C4' energy: -57.732
flat angles P-C4'-P energy: -43.064
tors. eta vs tors. theta energy: -40.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -519.436068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.436068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.436068 (E_RNA)
where:
Base-Base interactions energy: -287.433
where: short stacking energy: -148.488
Base-Backbone interact. energy: -2.089
local terms energy: -229.914449
where:
bonds (distance) C4'-P energy: -56.487
bonds (distance) P-C4' energy: -65.267
flat angles C4'-P-C4' energy: -52.356
flat angles P-C4'-P energy: -38.068
tors. eta vs tors. theta energy: -17.737
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: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -447.464654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.464654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.464654 (E_RNA)
where:
Base-Base interactions energy: -238.509
where: short stacking energy: -96.911
Base-Backbone interact. energy: 0.855
local terms energy: -209.939698
where:
bonds (distance) C4'-P energy: -66.085
bonds (distance) P-C4' energy: -59.840
flat angles C4'-P-C4' energy: -46.313
flat angles P-C4'-P energy: -33.331
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.129 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -260.839192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.839192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.839192 (E_RNA)
where:
Base-Base interactions energy: -104.733
where: short stacking energy: -60.865
Base-Backbone interact. energy: -1.476
local terms energy: -154.630699
where:
bonds (distance) C4'-P energy: -43.028
bonds (distance) P-C4' energy: -60.732
flat angles C4'-P-C4' energy: -42.178
flat angles P-C4'-P energy: -28.202
tors. eta vs tors. theta energy: 19.509
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: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1061.000975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.000975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.000975 (E_RNA)
where:
Base-Base interactions energy: -727.716
where: short stacking energy: -321.494
Base-Backbone interact. energy: -0.917
local terms energy: -332.825263
where:
bonds (distance) C4'-P energy: -53.964
bonds (distance) P-C4' energy: -74.685
flat angles C4'-P-C4' energy: -77.324
flat angles P-C4'-P energy: -41.597
tors. eta vs tors. theta energy: -85.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.457 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1062.921553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.921553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.921553 (E_RNA)
where:
Base-Base interactions energy: -713.257
where: short stacking energy: -300.949
Base-Backbone interact. energy: -4.604
local terms energy: -345.060961
where:
bonds (distance) C4'-P energy: -63.527
bonds (distance) P-C4' energy: -65.528
flat angles C4'-P-C4' energy: -77.977
flat angles P-C4'-P energy: -51.419
tors. eta vs tors. theta energy: -86.610
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: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -968.154130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.154130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.154130 (E_RNA)
where:
Base-Base interactions energy: -672.523
where: short stacking energy: -282.196
Base-Backbone interact. energy: -1.784
local terms energy: -293.847036
where:
bonds (distance) C4'-P energy: -58.927
bonds (distance) P-C4' energy: -57.712
flat angles C4'-P-C4' energy: -63.903
flat angles P-C4'-P energy: -33.921
tors. eta vs tors. theta energy: -79.385
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: 4, replica: 10
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -949.596451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.596451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.596451 (E_RNA)
where:
Base-Base interactions energy: -616.960
where: short stacking energy: -289.159
Base-Backbone interact. energy: -1.266
local terms energy: -331.370984
where:
bonds (distance) C4'-P energy: -64.279
bonds (distance) P-C4' energy: -63.198
flat angles C4'-P-C4' energy: -63.888
flat angles P-C4'-P energy: -46.744
tors. eta vs tors. theta energy: -93.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -830.867786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.867786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.867786 (E_RNA)
where:
Base-Base interactions energy: -551.660
where: short stacking energy: -249.184
Base-Backbone interact. energy: -1.134
local terms energy: -278.073922
where:
bonds (distance) C4'-P energy: -55.565
bonds (distance) P-C4' energy: -58.165
flat angles C4'-P-C4' energy: -60.134
flat angles P-C4'-P energy: -39.078
tors. eta vs tors. theta energy: -65.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -766.814777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.814777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.814777 (E_RNA)
where:
Base-Base interactions energy: -513.346
where: short stacking energy: -227.071
Base-Backbone interact. energy: -1.349
local terms energy: -252.119264
where:
bonds (distance) C4'-P energy: -50.476
bonds (distance) P-C4' energy: -54.049
flat angles C4'-P-C4' energy: -67.039
flat angles P-C4'-P energy: -34.030
tors. eta vs tors. theta energy: -46.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -627.862744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.862744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.862744 (E_RNA)
where:
Base-Base interactions energy: -409.350
where: short stacking energy: -180.635
Base-Backbone interact. energy: -0.685
local terms energy: -217.828432
where:
bonds (distance) C4'-P energy: -41.259
bonds (distance) P-C4' energy: -51.390
flat angles C4'-P-C4' energy: -51.704
flat angles P-C4'-P energy: -42.272
tors. eta vs tors. theta energy: -31.203
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: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -581.290276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.290276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.290276 (E_RNA)
where:
Base-Base interactions energy: -355.706
where: short stacking energy: -153.863
Base-Backbone interact. energy: 4.920
local terms energy: -230.504534
where:
bonds (distance) C4'-P energy: -58.412
bonds (distance) P-C4' energy: -49.644
flat angles C4'-P-C4' energy: -56.256
flat angles P-C4'-P energy: -40.741
tors. eta vs tors. theta energy: -25.451
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: 317
Temperature: 1.300000
Total energy: -371.083077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.083077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.083077 (E_RNA)
where:
Base-Base interactions energy: -202.044
where: short stacking energy: -119.278
Base-Backbone interact. energy: 2.637
local terms energy: -171.675528
where:
bonds (distance) C4'-P energy: -42.777
bonds (distance) P-C4' energy: -52.634
flat angles C4'-P-C4' energy: -40.190
flat angles P-C4'-P energy: -30.903
tors. eta vs tors. theta energy: -5.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -304.051424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.051424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.051424 (E_RNA)
where:
Base-Base interactions energy: -137.297
where: short stacking energy: -90.753
Base-Backbone interact. energy: 2.365
local terms energy: -169.119166
where:
bonds (distance) C4'-P energy: -51.715
bonds (distance) P-C4' energy: -43.591
flat angles C4'-P-C4' energy: -46.855
flat angles P-C4'-P energy: -24.608
tors. eta vs tors. theta energy: -2.351
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: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1083.897196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.897196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.897196 (E_RNA)
where:
Base-Base interactions energy: -737.926
where: short stacking energy: -303.973
Base-Backbone interact. energy: -0.994
local terms energy: -344.976837
where:
bonds (distance) C4'-P energy: -63.657
bonds (distance) P-C4' energy: -72.545
flat angles C4'-P-C4' energy: -68.893
flat angles P-C4'-P energy: -49.580
tors. eta vs tors. theta energy: -90.302
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: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1042.344438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.344438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.344438 (E_RNA)
where:
Base-Base interactions energy: -708.560
where: short stacking energy: -305.860
Base-Backbone interact. energy: -2.977
local terms energy: -331.197523
where:
bonds (distance) C4'-P energy: -62.480
bonds (distance) P-C4' energy: -61.133
flat angles C4'-P-C4' energy: -71.377
flat angles P-C4'-P energy: -44.895
tors. eta vs tors. theta energy: -91.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.390 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -957.919194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.919194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.919194 (E_RNA)
where:
Base-Base interactions energy: -645.920
where: short stacking energy: -287.277
Base-Backbone interact. energy: -5.851
local terms energy: -306.148630
where:
bonds (distance) C4'-P energy: -54.561
bonds (distance) P-C4' energy: -61.122
flat angles C4'-P-C4' energy: -62.642
flat angles P-C4'-P energy: -44.892
tors. eta vs tors. theta energy: -82.932
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: 10
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -922.240275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.240275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.240275 (E_RNA)
where:
Base-Base interactions energy: -632.821
where: short stacking energy: -271.944
Base-Backbone interact. energy: 0.154
local terms energy: -289.573930
where:
bonds (distance) C4'-P energy: -47.897
bonds (distance) P-C4' energy: -66.417
flat angles C4'-P-C4' energy: -60.835
flat angles P-C4'-P energy: -40.346
tors. eta vs tors. theta energy: -74.080
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: 5, replica: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -814.624045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.624045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.624045 (E_RNA)
where:
Base-Base interactions energy: -551.905
where: short stacking energy: -242.764
Base-Backbone interact. energy: -1.602
local terms energy: -261.117208
where:
bonds (distance) C4'-P energy: -54.587
bonds (distance) P-C4' energy: -49.393
flat angles C4'-P-C4' energy: -62.630
flat angles P-C4'-P energy: -38.562
tors. eta vs tors. theta energy: -55.945
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: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -785.211046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.211046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.211046 (E_RNA)
where:
Base-Base interactions energy: -516.818
where: short stacking energy: -221.070
Base-Backbone interact. energy: -1.787
local terms energy: -266.605801
where:
bonds (distance) C4'-P energy: -57.652
bonds (distance) P-C4' energy: -70.656
flat angles C4'-P-C4' energy: -60.997
flat angles P-C4'-P energy: -30.912
tors. eta vs tors. theta energy: -46.388
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: 2
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -633.134863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.134863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.134863 (E_RNA)
where:
Base-Base interactions energy: -377.858
where: short stacking energy: -180.074
Base-Backbone interact. energy: -1.887
local terms energy: -253.388918
where:
bonds (distance) C4'-P energy: -64.243
bonds (distance) P-C4' energy: -51.218
flat angles C4'-P-C4' energy: -59.296
flat angles P-C4'-P energy: -38.592
tors. eta vs tors. theta energy: -40.040
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: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -574.536622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.536622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.536622 (E_RNA)
where:
Base-Base interactions energy: -350.484
where: short stacking energy: -152.643
Base-Backbone interact. energy: -1.612
local terms energy: -222.441401
where:
bonds (distance) C4'-P energy: -56.947
bonds (distance) P-C4' energy: -46.060
flat angles C4'-P-C4' energy: -66.394
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -29.238
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: 9, replica: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -371.441274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.441274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.441274 (E_RNA)
where:
Base-Base interactions energy: -171.298
where: short stacking energy: -121.895
Base-Backbone interact. energy: -0.387
local terms energy: -199.756483
where:
bonds (distance) C4'-P energy: -57.782
bonds (distance) P-C4' energy: -54.661
flat angles C4'-P-C4' energy: -49.052
flat angles P-C4'-P energy: -32.590
tors. eta vs tors. theta energy: -5.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -375.575806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.575806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.575806 (E_RNA)
where:
Base-Base interactions energy: -199.788
where: short stacking energy: -114.603
Base-Backbone interact. energy: -0.369
local terms energy: -175.418875
where:
bonds (distance) C4'-P energy: -53.536
bonds (distance) P-C4' energy: -46.476
flat angles C4'-P-C4' energy: -45.043
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -8.334
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: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1063.194962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.194962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.194962 (E_RNA)
where:
Base-Base interactions energy: -707.505
where: short stacking energy: -287.611
Base-Backbone interact. energy: -3.335
local terms energy: -352.628056
where:
bonds (distance) C4'-P energy: -67.133
bonds (distance) P-C4' energy: -68.992
flat angles C4'-P-C4' energy: -79.338
flat angles P-C4'-P energy: -52.661
tors. eta vs tors. theta energy: -84.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.273 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1027.581065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.581065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.581065 (E_RNA)
where:
Base-Base interactions energy: -691.473
where: short stacking energy: -296.790
Base-Backbone interact. energy: -4.442
local terms energy: -331.698527
where:
bonds (distance) C4'-P energy: -64.280
bonds (distance) P-C4' energy: -58.479
flat angles C4'-P-C4' energy: -69.812
flat angles P-C4'-P energy: -49.925
tors. eta vs tors. theta energy: -89.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.032 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -954.327710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.327710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.327710 (E_RNA)
where:
Base-Base interactions energy: -653.411
where: short stacking energy: -283.792
Base-Backbone interact. energy: -1.939
local terms energy: -298.978154
where:
bonds (distance) C4'-P energy: -64.415
bonds (distance) P-C4' energy: -49.709
flat angles C4'-P-C4' energy: -64.550
flat angles P-C4'-P energy: -37.526
tors. eta vs tors. theta energy: -82.779
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: 4, replica: 10
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -915.067386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.067386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.067386 (E_RNA)
where:
Base-Base interactions energy: -622.047
where: short stacking energy: -262.643
Base-Backbone interact. energy: 3.614
local terms energy: -296.633936
where:
bonds (distance) C4'-P energy: -56.458
bonds (distance) P-C4' energy: -62.648
flat angles C4'-P-C4' energy: -63.184
flat angles P-C4'-P energy: -37.617
tors. eta vs tors. theta energy: -76.728
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: 5
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -851.671239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.671239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.671239 (E_RNA)
where:
Base-Base interactions energy: -571.103
where: short stacking energy: -255.836
Base-Backbone interact. energy: -0.759
local terms energy: -279.809516
where:
bonds (distance) C4'-P energy: -55.465
bonds (distance) P-C4' energy: -49.843
flat angles C4'-P-C4' energy: -60.323
flat angles P-C4'-P energy: -49.187
tors. eta vs tors. theta energy: -64.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -817.775407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.775407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.775407 (E_RNA)
where:
Base-Base interactions energy: -550.534
where: short stacking energy: -235.004
Base-Backbone interact. energy: 0.102
local terms energy: -267.343619
where:
bonds (distance) C4'-P energy: -55.516
bonds (distance) P-C4' energy: -57.308
flat angles C4'-P-C4' energy: -53.630
flat angles P-C4'-P energy: -43.627
tors. eta vs tors. theta energy: -57.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -672.246461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.246461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.246461 (E_RNA)
where:
Base-Base interactions energy: -412.123
where: short stacking energy: -192.580
Base-Backbone interact. energy: -1.669
local terms energy: -258.454556
where:
bonds (distance) C4'-P energy: -59.781
bonds (distance) P-C4' energy: -57.236
flat angles C4'-P-C4' energy: -58.797
flat angles P-C4'-P energy: -39.000
tors. eta vs tors. theta energy: -43.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -523.222947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.222947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.222947 (E_RNA)
where:
Base-Base interactions energy: -298.116
where: short stacking energy: -146.285
Base-Backbone interact. energy: 1.918
local terms energy: -227.025238
where:
bonds (distance) C4'-P energy: -46.357
bonds (distance) P-C4' energy: -56.399
flat angles C4'-P-C4' energy: -64.267
flat angles P-C4'-P energy: -30.755
tors. eta vs tors. theta energy: -29.247
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: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -402.279107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.279107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.279107 (E_RNA)
where:
Base-Base interactions energy: -202.320
where: short stacking energy: -121.660
Base-Backbone interact. energy: -0.601
local terms energy: -199.358450
where:
bonds (distance) C4'-P energy: -62.445
bonds (distance) P-C4' energy: -64.687
flat angles C4'-P-C4' energy: -40.464
flat angles P-C4'-P energy: -20.323
tors. eta vs tors. theta energy: -11.438
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: 319
Temperature: 1.350000
Total energy: -321.152764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.152764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.152764 (E_RNA)
where:
Base-Base interactions energy: -139.990
where: short stacking energy: -74.263
Base-Backbone interact. energy: 2.363
local terms energy: -183.525826
where:
bonds (distance) C4'-P energy: -48.483
bonds (distance) P-C4' energy: -59.029
flat angles C4'-P-C4' energy: -38.211
flat angles P-C4'-P energy: -41.710
tors. eta vs tors. theta energy: 3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1064.183643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.183643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.183643 (E_RNA)
where:
Base-Base interactions energy: -717.614
where: short stacking energy: -303.164
Base-Backbone interact. energy: -1.422
local terms energy: -345.147793
where:
bonds (distance) C4'-P energy: -62.557
bonds (distance) P-C4' energy: -72.888
flat angles C4'-P-C4' energy: -70.600
flat angles P-C4'-P energy: -60.143
tors. eta vs tors. theta energy: -78.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1063.078619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.078619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.078619 (E_RNA)
where:
Base-Base interactions energy: -724.341
where: short stacking energy: -311.002
Base-Backbone interact. energy: -2.106
local terms energy: -336.631252
where:
bonds (distance) C4'-P energy: -59.849
bonds (distance) P-C4' energy: -69.632
flat angles C4'-P-C4' energy: -68.418
flat angles P-C4'-P energy: -47.601
tors. eta vs tors. theta energy: -91.131
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: 3, replica: 9
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -983.053594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.053594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.053594 (E_RNA)
where:
Base-Base interactions energy: -669.302
where: short stacking energy: -290.515
Base-Backbone interact. energy: -1.219
local terms energy: -312.531777
where:
bonds (distance) C4'-P energy: -54.089
bonds (distance) P-C4' energy: -60.183
flat angles C4'-P-C4' energy: -70.347
flat angles P-C4'-P energy: -38.242
tors. eta vs tors. theta energy: -89.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -923.657051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.657051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.657051 (E_RNA)
where:
Base-Base interactions energy: -607.673
where: short stacking energy: -280.324
Base-Backbone interact. energy: -0.424
local terms energy: -315.559890
where:
bonds (distance) C4'-P energy: -60.547
bonds (distance) P-C4' energy: -66.362
flat angles C4'-P-C4' energy: -65.999
flat angles P-C4'-P energy: -45.188
tors. eta vs tors. theta energy: -77.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -855.060006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.060006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.060006 (E_RNA)
where:
Base-Base interactions energy: -572.472
where: short stacking energy: -274.297
Base-Backbone interact. energy: -0.480
local terms energy: -282.107487
where:
bonds (distance) C4'-P energy: -54.594
bonds (distance) P-C4' energy: -46.304
flat angles C4'-P-C4' energy: -63.897
flat angles P-C4'-P energy: -43.790
tors. eta vs tors. theta energy: -73.523
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: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -771.778088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.778088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.778088 (E_RNA)
where:
Base-Base interactions energy: -516.804
where: short stacking energy: -226.108
Base-Backbone interact. energy: -1.026
local terms energy: -253.947896
where:
bonds (distance) C4'-P energy: -56.588
bonds (distance) P-C4' energy: -69.491
flat angles C4'-P-C4' energy: -55.873
flat angles P-C4'-P energy: -19.708
tors. eta vs tors. theta energy: -52.288
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: 2
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -675.279899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.279899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.279899 (E_RNA)
where:
Base-Base interactions energy: -413.867
where: short stacking energy: -190.781
Base-Backbone interact. energy: -1.125
local terms energy: -260.288542
where:
bonds (distance) C4'-P energy: -59.101
bonds (distance) P-C4' energy: -64.399
flat angles C4'-P-C4' energy: -55.675
flat angles P-C4'-P energy: -43.815
tors. eta vs tors. theta energy: -37.298
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: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -513.753244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.753244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.753244 (E_RNA)
where:
Base-Base interactions energy: -277.562
where: short stacking energy: -131.160
Base-Backbone interact. energy: -0.927
local terms energy: -235.264313
where:
bonds (distance) C4'-P energy: -60.857
bonds (distance) P-C4' energy: -59.760
flat angles C4'-P-C4' energy: -56.521
flat angles P-C4'-P energy: -42.292
tors. eta vs tors. theta energy: -15.833
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: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -382.106440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.106440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.106440 (E_RNA)
where:
Base-Base interactions energy: -198.617
where: short stacking energy: -104.716
Base-Backbone interact. energy: -1.062
local terms energy: -182.427340
where:
bonds (distance) C4'-P energy: -55.710
bonds (distance) P-C4' energy: -66.232
flat angles C4'-P-C4' energy: -39.878
flat angles P-C4'-P energy: -20.972
tors. eta vs tors. theta energy: 0.364
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: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -286.840804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.840804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.840804 (E_RNA)
where:
Base-Base interactions energy: -85.966
where: short stacking energy: -70.208
Base-Backbone interact. energy: -1.534
local terms energy: -199.340435
where:
bonds (distance) C4'-P energy: -63.959
bonds (distance) P-C4' energy: -57.932
flat angles C4'-P-C4' energy: -51.496
flat angles P-C4'-P energy: -28.254
tors. eta vs tors. theta energy: 2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1053.634339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.634339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.634339 (E_RNA)
where:
Base-Base interactions energy: -717.683
where: short stacking energy: -294.715
Base-Backbone interact. energy: -2.864
local terms energy: -333.086572
where:
bonds (distance) C4'-P energy: -57.826
bonds (distance) P-C4' energy: -69.916
flat angles C4'-P-C4' energy: -68.486
flat angles P-C4'-P energy: -51.950
tors. eta vs tors. theta energy: -84.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1045.675131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.675131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.675131 (E_RNA)
where:
Base-Base interactions energy: -705.732
where: short stacking energy: -318.752
Base-Backbone interact. energy: -2.084
local terms energy: -338.280676
where:
bonds (distance) C4'-P energy: -71.353
bonds (distance) P-C4' energy: -67.363
flat angles C4'-P-C4' energy: -68.885
flat angles P-C4'-P energy: -44.794
tors. eta vs tors. theta energy: -85.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.422 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -989.894247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.894247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.894247 (E_RNA)
where:
Base-Base interactions energy: -667.863
where: short stacking energy: -285.105
Base-Backbone interact. energy: -1.516
local terms energy: -320.515916
where:
bonds (distance) C4'-P energy: -65.926
bonds (distance) P-C4' energy: -68.859
flat angles C4'-P-C4' energy: -68.300
flat angles P-C4'-P energy: -42.150
tors. eta vs tors. theta energy: -75.281
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: 4, replica: 10
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -914.248966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.248966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.248966 (E_RNA)
where:
Base-Base interactions energy: -601.491
where: short stacking energy: -299.247
Base-Backbone interact. energy: -1.096
local terms energy: -311.662491
where:
bonds (distance) C4'-P energy: -46.723
bonds (distance) P-C4' energy: -64.875
flat angles C4'-P-C4' energy: -64.602
flat angles P-C4'-P energy: -50.778
tors. eta vs tors. theta energy: -84.686
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: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -833.991850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.991850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.991850 (E_RNA)
where:
Base-Base interactions energy: -557.697
where: short stacking energy: -239.861
Base-Backbone interact. energy: -0.772
local terms energy: -275.522709
where:
bonds (distance) C4'-P energy: -44.388
bonds (distance) P-C4' energy: -60.827
flat angles C4'-P-C4' energy: -59.602
flat angles P-C4'-P energy: -31.715
tors. eta vs tors. theta energy: -78.990
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: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -776.503620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.503620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.503620 (E_RNA)
where:
Base-Base interactions energy: -499.730
where: short stacking energy: -217.388
Base-Backbone interact. energy: -2.388
local terms energy: -274.385994
where:
bonds (distance) C4'-P energy: -63.318
bonds (distance) P-C4' energy: -57.824
flat angles C4'-P-C4' energy: -59.833
flat angles P-C4'-P energy: -43.986
tors. eta vs tors. theta energy: -49.424
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: 7, replica: 2
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -704.348402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.348402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.348402 (E_RNA)
where:
Base-Base interactions energy: -448.650
where: short stacking energy: -217.460
Base-Backbone interact. energy: 2.153
local terms energy: -257.850534
where:
bonds (distance) C4'-P energy: -54.976
bonds (distance) P-C4' energy: -54.474
flat angles C4'-P-C4' energy: -54.241
flat angles P-C4'-P energy: -31.880
tors. eta vs tors. theta energy: -62.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -555.809312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.809312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.809312 (E_RNA)
where:
Base-Base interactions energy: -327.370
where: short stacking energy: -158.405
Base-Backbone interact. energy: -1.419
local terms energy: -227.020938
where:
bonds (distance) C4'-P energy: -62.995
bonds (distance) P-C4' energy: -52.577
flat angles C4'-P-C4' energy: -52.160
flat angles P-C4'-P energy: -30.710
tors. eta vs tors. theta energy: -28.579
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: 9, replica: 3
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -414.849826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.849826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.849826 (E_RNA)
where:
Base-Base interactions energy: -210.885
where: short stacking energy: -129.109
Base-Backbone interact. energy: 3.081
local terms energy: -207.045749
where:
bonds (distance) C4'-P energy: -55.487
bonds (distance) P-C4' energy: -54.806
flat angles C4'-P-C4' energy: -58.479
flat angles P-C4'-P energy: -29.609
tors. eta vs tors. theta energy: -8.664
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: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -261.838005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.838005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.838005 (E_RNA)
where:
Base-Base interactions energy: -83.655
where: short stacking energy: -77.985
Base-Backbone interact. energy: 0.315
local terms energy: -178.498643
where:
bonds (distance) C4'-P energy: -50.581
bonds (distance) P-C4' energy: -52.228
flat angles C4'-P-C4' energy: -47.211
flat angles P-C4'-P energy: -35.372
tors. eta vs tors. theta energy: 6.892
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: 1, replica: 4
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1052.789099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.789099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.789099 (E_RNA)
where:
Base-Base interactions energy: -724.983
where: short stacking energy: -311.926
Base-Backbone interact. energy: -1.278
local terms energy: -326.527902
where:
bonds (distance) C4'-P energy: -63.646
bonds (distance) P-C4' energy: -68.694
flat angles C4'-P-C4' energy: -67.293
flat angles P-C4'-P energy: -41.852
tors. eta vs tors. theta energy: -85.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1021.159364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.159364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.159364 (E_RNA)
where:
Base-Base interactions energy: -699.476
where: short stacking energy: -299.471
Base-Backbone interact. energy: -5.353
local terms energy: -316.329811
where:
bonds (distance) C4'-P energy: -57.333
bonds (distance) P-C4' energy: -66.723
flat angles C4'-P-C4' energy: -71.492
flat angles P-C4'-P energy: -40.388
tors. eta vs tors. theta energy: -80.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -963.542144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.542144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.542144 (E_RNA)
where:
Base-Base interactions energy: -665.902
where: short stacking energy: -270.163
Base-Backbone interact. energy: -0.054
local terms energy: -297.586447
where:
bonds (distance) C4'-P energy: -58.583
bonds (distance) P-C4' energy: -60.931
flat angles C4'-P-C4' energy: -65.215
flat angles P-C4'-P energy: -39.032
tors. eta vs tors. theta energy: -73.825
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: 322
Temperature: 1.050000
Total energy: -917.846989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.846989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.846989 (E_RNA)
where:
Base-Base interactions energy: -608.871
where: short stacking energy: -270.363
Base-Backbone interact. energy: -0.456
local terms energy: -309.300014
where:
bonds (distance) C4'-P energy: -64.451
bonds (distance) P-C4' energy: -56.906
flat angles C4'-P-C4' energy: -68.749
flat angles P-C4'-P energy: -41.559
tors. eta vs tors. theta energy: -77.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.780 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -846.894363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.894363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.894363 (E_RNA)
where:
Base-Base interactions energy: -553.477
where: short stacking energy: -256.621
Base-Backbone interact. energy: -1.265
local terms energy: -292.153126
where:
bonds (distance) C4'-P energy: -55.264
bonds (distance) P-C4' energy: -61.785
flat angles C4'-P-C4' energy: -58.466
flat angles P-C4'-P energy: -42.728
tors. eta vs tors. theta energy: -73.910
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: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -760.036984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.036984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.036984 (E_RNA)
where:
Base-Base interactions energy: -490.558
where: short stacking energy: -221.034
Base-Backbone interact. energy: 0.143
local terms energy: -269.622252
where:
bonds (distance) C4'-P energy: -56.720
bonds (distance) P-C4' energy: -64.550
flat angles C4'-P-C4' energy: -50.101
flat angles P-C4'-P energy: -48.353
tors. eta vs tors. theta energy: -49.899
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: 2
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -655.230736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.230736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.230736 (E_RNA)
where:
Base-Base interactions energy: -388.076
where: short stacking energy: -202.289
Base-Backbone interact. energy: -0.677
local terms energy: -266.477287
where:
bonds (distance) C4'-P energy: -62.649
bonds (distance) P-C4' energy: -55.306
flat angles C4'-P-C4' energy: -59.494
flat angles P-C4'-P energy: -36.792
tors. eta vs tors. theta energy: -52.236
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: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -573.583970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.583970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.583970 (E_RNA)
where:
Base-Base interactions energy: -362.322
where: short stacking energy: -166.891
Base-Backbone interact. energy: -1.394
local terms energy: -209.868267
where:
bonds (distance) C4'-P energy: -49.079
bonds (distance) P-C4' energy: -44.344
flat angles C4'-P-C4' energy: -56.954
flat angles P-C4'-P energy: -29.731
tors. eta vs tors. theta energy: -29.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -404.298279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.298279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.298279 (E_RNA)
where:
Base-Base interactions energy: -211.275
where: short stacking energy: -117.928
Base-Backbone interact. energy: -0.758
local terms energy: -192.265449
where:
bonds (distance) C4'-P energy: -40.314
bonds (distance) P-C4' energy: -55.026
flat angles C4'-P-C4' energy: -55.359
flat angles P-C4'-P energy: -36.552
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -268.057241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.057241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.057241 (E_RNA)
where:
Base-Base interactions energy: -92.530
where: short stacking energy: -67.997
Base-Backbone interact. energy: -0.749
local terms energy: -174.778547
where:
bonds (distance) C4'-P energy: -48.120
bonds (distance) P-C4' energy: -51.706
flat angles C4'-P-C4' energy: -42.429
flat angles P-C4'-P energy: -31.621
tors. eta vs tors. theta energy: -0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1068.696147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.696147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.696147 (E_RNA)
where:
Base-Base interactions energy: -706.276
where: short stacking energy: -293.863
Base-Backbone interact. energy: -2.052
local terms energy: -360.367725
where:
bonds (distance) C4'-P energy: -68.871
bonds (distance) P-C4' energy: -69.094
flat angles C4'-P-C4' energy: -75.238
flat angles P-C4'-P energy: -57.684
tors. eta vs tors. theta energy: -89.480
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: 8
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1024.791301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.791301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.791301 (E_RNA)
where:
Base-Base interactions energy: -691.176
where: short stacking energy: -309.710
Base-Backbone interact. energy: -2.355
local terms energy: -331.259436
where:
bonds (distance) C4'-P energy: -55.904
bonds (distance) P-C4' energy: -65.648
flat angles C4'-P-C4' energy: -70.368
flat angles P-C4'-P energy: -49.188
tors. eta vs tors. theta energy: -90.153
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: 9
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1009.728309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.728309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.728309 (E_RNA)
where:
Base-Base interactions energy: -682.557
where: short stacking energy: -300.367
Base-Backbone interact. energy: -1.698
local terms energy: -325.472844
where:
bonds (distance) C4'-P energy: -56.161
bonds (distance) P-C4' energy: -62.975
flat angles C4'-P-C4' energy: -74.394
flat angles P-C4'-P energy: -45.609
tors. eta vs tors. theta energy: -86.334
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: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -927.222109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.222109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.222109 (E_RNA)
where:
Base-Base interactions energy: -611.131
where: short stacking energy: -291.051
Base-Backbone interact. energy: -0.262
local terms energy: -316.061341
where:
bonds (distance) C4'-P energy: -60.315
bonds (distance) P-C4' energy: -66.898
flat angles C4'-P-C4' energy: -72.932
flat angles P-C4'-P energy: -35.904
tors. eta vs tors. theta energy: -80.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.232 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -866.022116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.022116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.022116 (E_RNA)
where:
Base-Base interactions energy: -570.607
where: short stacking energy: -257.803
Base-Backbone interact. energy: -1.165
local terms energy: -294.250311
where:
bonds (distance) C4'-P energy: -54.548
bonds (distance) P-C4' energy: -63.458
flat angles C4'-P-C4' energy: -53.026
flat angles P-C4'-P energy: -38.601
tors. eta vs tors. theta energy: -84.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -775.944295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.944295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.944295 (E_RNA)
where:
Base-Base interactions energy: -495.027
where: short stacking energy: -214.255
Base-Backbone interact. energy: 0.565
local terms energy: -281.482483
where:
bonds (distance) C4'-P energy: -62.824
bonds (distance) P-C4' energy: -61.581
flat angles C4'-P-C4' energy: -56.984
flat angles P-C4'-P energy: -48.270
tors. eta vs tors. theta energy: -51.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -650.143650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.143650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.143650 (E_RNA)
where:
Base-Base interactions energy: -390.970
where: short stacking energy: -194.950
Base-Backbone interact. energy: -1.001
local terms energy: -258.172864
where:
bonds (distance) C4'-P energy: -59.843
bonds (distance) P-C4' energy: -57.197
flat angles C4'-P-C4' energy: -57.480
flat angles P-C4'-P energy: -33.710
tors. eta vs tors. theta energy: -49.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -540.254558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.254558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.254558 (E_RNA)
where:
Base-Base interactions energy: -291.916
where: short stacking energy: -132.737
Base-Backbone interact. energy: -1.387
local terms energy: -246.951743
where:
bonds (distance) C4'-P energy: -55.192
bonds (distance) P-C4' energy: -60.405
flat angles C4'-P-C4' energy: -67.597
flat angles P-C4'-P energy: -37.889
tors. eta vs tors. theta energy: -25.869
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: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -448.450374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.450374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.450374 (E_RNA)
where:
Base-Base interactions energy: -232.552
where: short stacking energy: -97.111
Base-Backbone interact. energy: -2.441
local terms energy: -213.457897
where:
bonds (distance) C4'-P energy: -64.570
bonds (distance) P-C4' energy: -65.842
flat angles C4'-P-C4' energy: -52.116
flat angles P-C4'-P energy: -24.882
tors. eta vs tors. theta energy: -6.049
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: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -264.850024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.850024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.850024 (E_RNA)
where:
Base-Base interactions energy: -95.571
where: short stacking energy: -73.582
Base-Backbone interact. energy: 4.260
local terms energy: -173.539240
where:
bonds (distance) C4'-P energy: -46.965
bonds (distance) P-C4' energy: -57.915
flat angles C4'-P-C4' energy: -47.043
flat angles P-C4'-P energy: -35.457
tors. eta vs tors. theta energy: 13.841
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: 1, replica: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1057.448411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.448411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.448411 (E_RNA)
where:
Base-Base interactions energy: -715.385
where: short stacking energy: -294.585
Base-Backbone interact. energy: -1.688
local terms energy: -340.374942
where:
bonds (distance) C4'-P energy: -66.254
bonds (distance) P-C4' energy: -71.687
flat angles C4'-P-C4' energy: -73.887
flat angles P-C4'-P energy: -50.585
tors. eta vs tors. theta energy: -77.962
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: 2, replica: 8
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1057.913021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.913021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.913021 (E_RNA)
where:
Base-Base interactions energy: -740.002
where: short stacking energy: -314.038
Base-Backbone interact. energy: -1.251
local terms energy: -316.659684
where:
bonds (distance) C4'-P energy: -65.330
bonds (distance) P-C4' energy: -56.133
flat angles C4'-P-C4' energy: -64.200
flat angles P-C4'-P energy: -45.695
tors. eta vs tors. theta energy: -85.302
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: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -941.165208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.165208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.165208 (E_RNA)
where:
Base-Base interactions energy: -634.613
where: short stacking energy: -278.596
Base-Backbone interact. energy: -1.142
local terms energy: -305.410718
where:
bonds (distance) C4'-P energy: -58.033
bonds (distance) P-C4' energy: -58.398
flat angles C4'-P-C4' energy: -67.360
flat angles P-C4'-P energy: -43.531
tors. eta vs tors. theta energy: -78.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -937.413768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.413768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.413768 (E_RNA)
where:
Base-Base interactions energy: -630.662
where: short stacking energy: -282.896
Base-Backbone interact. energy: 1.728
local terms energy: -308.479517
where:
bonds (distance) C4'-P energy: -59.321
bonds (distance) P-C4' energy: -61.181
flat angles C4'-P-C4' energy: -70.963
flat angles P-C4'-P energy: -42.514
tors. eta vs tors. theta energy: -74.501
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: 5
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -861.137826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.137826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.137826 (E_RNA)
where:
Base-Base interactions energy: -565.552
where: short stacking energy: -266.677
Base-Backbone interact. energy: -0.343
local terms energy: -295.242866
where:
bonds (distance) C4'-P energy: -55.726
bonds (distance) P-C4' energy: -54.958
flat angles C4'-P-C4' energy: -66.218
flat angles P-C4'-P energy: -47.834
tors. eta vs tors. theta energy: -70.507
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: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -776.173584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.173584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.173584 (E_RNA)
where:
Base-Base interactions energy: -494.949
where: short stacking energy: -200.827
Base-Backbone interact. energy: -1.646
local terms energy: -279.578338
where:
bonds (distance) C4'-P energy: -55.018
bonds (distance) P-C4' energy: -59.681
flat angles C4'-P-C4' energy: -69.869
flat angles P-C4'-P energy: -45.077
tors. eta vs tors. theta energy: -49.933
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: 2
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -662.191121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.191121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.191121 (E_RNA)
where:
Base-Base interactions energy: -393.745
where: short stacking energy: -203.275
Base-Backbone interact. energy: 2.003
local terms energy: -270.449148
where:
bonds (distance) C4'-P energy: -60.717
bonds (distance) P-C4' energy: -57.965
flat angles C4'-P-C4' energy: -67.273
flat angles P-C4'-P energy: -39.746
tors. eta vs tors. theta energy: -44.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -544.782082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.782082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.782082 (E_RNA)
where:
Base-Base interactions energy: -324.392
where: short stacking energy: -155.938
Base-Backbone interact. energy: 2.701
local terms energy: -223.091402
where:
bonds (distance) C4'-P energy: -58.662
bonds (distance) P-C4' energy: -42.086
flat angles C4'-P-C4' energy: -48.279
flat angles P-C4'-P energy: -41.749
tors. eta vs tors. theta energy: -32.315
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: 9, replica: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -397.085054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.085054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.085054 (E_RNA)
where:
Base-Base interactions energy: -214.217
where: short stacking energy: -115.325
Base-Backbone interact. energy: 2.233
local terms energy: -185.475908
where:
bonds (distance) C4'-P energy: -59.587
bonds (distance) P-C4' energy: -46.797
flat angles C4'-P-C4' energy: -52.056
flat angles P-C4'-P energy: -28.046
tors. eta vs tors. theta energy: 1.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.374 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -257.301440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.301440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.301440 (E_RNA)
where:
Base-Base interactions energy: -88.439
where: short stacking energy: -78.120
Base-Backbone interact. energy: 0.898
local terms energy: -169.760605
where:
bonds (distance) C4'-P energy: -52.708
bonds (distance) P-C4' energy: -54.449
flat angles C4'-P-C4' energy: -51.609
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: 8.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1050.364518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.364518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.364518 (E_RNA)
where:
Base-Base interactions energy: -731.322
where: short stacking energy: -299.451
Base-Backbone interact. energy: 2.353
local terms energy: -321.395432
where:
bonds (distance) C4'-P energy: -58.067
bonds (distance) P-C4' energy: -61.339
flat angles C4'-P-C4' energy: -69.351
flat angles P-C4'-P energy: -52.907
tors. eta vs tors. theta energy: -79.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1033.059787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.059787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.059787 (E_RNA)
where:
Base-Base interactions energy: -702.919
where: short stacking energy: -312.131
Base-Backbone interact. energy: -2.076
local terms energy: -328.064552
where:
bonds (distance) C4'-P energy: -60.237
bonds (distance) P-C4' energy: -64.758
flat angles C4'-P-C4' energy: -61.568
flat angles P-C4'-P energy: -48.958
tors. eta vs tors. theta energy: -92.544
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: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -944.427166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.427166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.427166 (E_RNA)
where:
Base-Base interactions energy: -615.914
where: short stacking energy: -268.776
Base-Backbone interact. energy: -0.396
local terms energy: -328.631242
where:
bonds (distance) C4'-P energy: -59.444
bonds (distance) P-C4' energy: -59.517
flat angles C4'-P-C4' energy: -72.130
flat angles P-C4'-P energy: -56.095
tors. eta vs tors. theta energy: -81.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.514 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -881.184345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.184345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.184345 (E_RNA)
where:
Base-Base interactions energy: -588.429
where: short stacking energy: -269.377
Base-Backbone interact. energy: -1.488
local terms energy: -291.266931
where:
bonds (distance) C4'-P energy: -57.482
bonds (distance) P-C4' energy: -51.885
flat angles C4'-P-C4' energy: -65.229
flat angles P-C4'-P energy: -45.846
tors. eta vs tors. theta energy: -70.825
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: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -851.035394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.035394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.035394 (E_RNA)
where:
Base-Base interactions energy: -582.949
where: short stacking energy: -241.029
Base-Backbone interact. energy: -0.115
local terms energy: -267.971394
where:
bonds (distance) C4'-P energy: -53.783
bonds (distance) P-C4' energy: -55.809
flat angles C4'-P-C4' energy: -74.431
flat angles P-C4'-P energy: -32.048
tors. eta vs tors. theta energy: -51.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -784.287065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.287065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.287065 (E_RNA)
where:
Base-Base interactions energy: -513.540
where: short stacking energy: -225.588
Base-Backbone interact. energy: 1.710
local terms energy: -272.456785
where:
bonds (distance) C4'-P energy: -60.030
bonds (distance) P-C4' energy: -67.925
flat angles C4'-P-C4' energy: -58.588
flat angles P-C4'-P energy: -29.403
tors. eta vs tors. theta energy: -56.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -660.438570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.438570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.438570 (E_RNA)
where:
Base-Base interactions energy: -407.614
where: short stacking energy: -194.291
Base-Backbone interact. energy: -0.109
local terms energy: -252.715383
where:
bonds (distance) C4'-P energy: -54.805
bonds (distance) P-C4' energy: -53.112
flat angles C4'-P-C4' energy: -56.748
flat angles P-C4'-P energy: -29.663
tors. eta vs tors. theta energy: -58.387
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: 8, replica: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -533.659279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.659279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.659279 (E_RNA)
where:
Base-Base interactions energy: -312.682
where: short stacking energy: -133.398
Base-Backbone interact. energy: -0.714
local terms energy: -220.263196
where:
bonds (distance) C4'-P energy: -53.297
bonds (distance) P-C4' energy: -51.962
flat angles C4'-P-C4' energy: -52.512
flat angles P-C4'-P energy: -37.525
tors. eta vs tors. theta energy: -24.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -419.299546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.299546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.299546 (E_RNA)
where:
Base-Base interactions energy: -211.762
where: short stacking energy: -107.424
Base-Backbone interact. energy: -0.795
local terms energy: -206.742778
where:
bonds (distance) C4'-P energy: -49.434
bonds (distance) P-C4' energy: -58.753
flat angles C4'-P-C4' energy: -57.816
flat angles P-C4'-P energy: -35.025
tors. eta vs tors. theta energy: -5.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -280.502693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.502693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.502693 (E_RNA)
where:
Base-Base interactions energy: -105.337
where: short stacking energy: -92.290
Base-Backbone interact. energy: -1.019
local terms energy: -174.146340
where:
bonds (distance) C4'-P energy: -54.665
bonds (distance) P-C4' energy: -54.161
flat angles C4'-P-C4' energy: -44.571
flat angles P-C4'-P energy: -23.414
tors. eta vs tors. theta energy: 2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1036.519128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.519128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.519128 (E_RNA)
where:
Base-Base interactions energy: -707.193
where: short stacking energy: -314.174
Base-Backbone interact. energy: 1.838
local terms energy: -331.164215
where:
bonds (distance) C4'-P energy: -72.367
bonds (distance) P-C4' energy: -58.663
flat angles C4'-P-C4' energy: -70.659
flat angles P-C4'-P energy: -44.890
tors. eta vs tors. theta energy: -84.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1025.517788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.517788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.517788 (E_RNA)
where:
Base-Base interactions energy: -706.990
where: short stacking energy: -300.163
Base-Backbone interact. energy: -1.051
local terms energy: -317.476665
where:
bonds (distance) C4'-P energy: -60.732
bonds (distance) P-C4' energy: -66.059
flat angles C4'-P-C4' energy: -64.574
flat angles P-C4'-P energy: -44.196
tors. eta vs tors. theta energy: -81.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -949.241364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.241364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.241364 (E_RNA)
where:
Base-Base interactions energy: -640.991
where: short stacking energy: -312.482
Base-Backbone interact. energy: -0.201
local terms energy: -308.400593
where:
bonds (distance) C4'-P energy: -50.270
bonds (distance) P-C4' energy: -64.560
flat angles C4'-P-C4' energy: -69.081
flat angles P-C4'-P energy: -41.104
tors. eta vs tors. theta energy: -83.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.352 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -906.794655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.794655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.794655 (E_RNA)
where:
Base-Base interactions energy: -585.803
where: short stacking energy: -271.042
Base-Backbone interact. energy: -1.160
local terms energy: -319.831110
where:
bonds (distance) C4'-P energy: -53.644
bonds (distance) P-C4' energy: -60.443
flat angles C4'-P-C4' energy: -71.110
flat angles P-C4'-P energy: -49.339
tors. eta vs tors. theta energy: -85.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -885.983421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.983421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.983421 (E_RNA)
where:
Base-Base interactions energy: -588.682
where: short stacking energy: -245.955
Base-Backbone interact. energy: -0.750
local terms energy: -296.551315
where:
bonds (distance) C4'-P energy: -54.407
bonds (distance) P-C4' energy: -61.684
flat angles C4'-P-C4' energy: -71.182
flat angles P-C4'-P energy: -44.494
tors. eta vs tors. theta energy: -64.784
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: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -755.122547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.122547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.122547 (E_RNA)
where:
Base-Base interactions energy: -488.612
where: short stacking energy: -209.434
Base-Backbone interact. energy: -0.626
local terms energy: -265.884650
where:
bonds (distance) C4'-P energy: -47.493
bonds (distance) P-C4' energy: -62.282
flat angles C4'-P-C4' energy: -59.557
flat angles P-C4'-P energy: -43.311
tors. eta vs tors. theta energy: -53.242
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: 2
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -657.432341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.432341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.432341 (E_RNA)
where:
Base-Base interactions energy: -397.077
where: short stacking energy: -195.192
Base-Backbone interact. energy: -0.622
local terms energy: -259.733168
where:
bonds (distance) C4'-P energy: -57.803
bonds (distance) P-C4' energy: -53.305
flat angles C4'-P-C4' energy: -57.652
flat angles P-C4'-P energy: -43.970
tors. eta vs tors. theta energy: -47.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -580.070307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.070307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.070307 (E_RNA)
where:
Base-Base interactions energy: -351.794
where: short stacking energy: -173.471
Base-Backbone interact. energy: 1.470
local terms energy: -229.745550
where:
bonds (distance) C4'-P energy: -47.361
bonds (distance) P-C4' energy: -59.284
flat angles C4'-P-C4' energy: -54.938
flat angles P-C4'-P energy: -37.503
tors. eta vs tors. theta energy: -30.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -454.003615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.003615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.003615 (E_RNA)
where:
Base-Base interactions energy: -259.126
where: short stacking energy: -121.165
Base-Backbone interact. energy: -0.222
local terms energy: -194.655898
where:
bonds (distance) C4'-P energy: -52.964
bonds (distance) P-C4' energy: -58.324
flat angles C4'-P-C4' energy: -56.343
flat angles P-C4'-P energy: -24.271
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -255.536584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.536584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.536584 (E_RNA)
where:
Base-Base interactions energy: -67.343
where: short stacking energy: -64.594
Base-Backbone interact. energy: 0.526
local terms energy: -188.719544
where:
bonds (distance) C4'-P energy: -58.021
bonds (distance) P-C4' energy: -64.085
flat angles C4'-P-C4' energy: -51.383
flat angles P-C4'-P energy: -35.103
tors. eta vs tors. theta energy: 19.871
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: 8
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1047.474782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.474782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.474782 (E_RNA)
where:
Base-Base interactions energy: -702.648
where: short stacking energy: -319.505
Base-Backbone interact. energy: 0.360
local terms energy: -345.186921
where:
bonds (distance) C4'-P energy: -64.293
bonds (distance) P-C4' energy: -65.940
flat angles C4'-P-C4' energy: -75.074
flat angles P-C4'-P energy: -48.148
tors. eta vs tors. theta energy: -91.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1052.452240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.452240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.452240 (E_RNA)
where:
Base-Base interactions energy: -717.667
where: short stacking energy: -311.655
Base-Backbone interact. energy: -3.510
local terms energy: -331.275239
where:
bonds (distance) C4'-P energy: -54.516
bonds (distance) P-C4' energy: -66.442
flat angles C4'-P-C4' energy: -77.198
flat angles P-C4'-P energy: -52.504
tors. eta vs tors. theta energy: -80.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -973.863544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.863544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.863544 (E_RNA)
where:
Base-Base interactions energy: -640.617
where: short stacking energy: -295.722
Base-Backbone interact. energy: -0.857
local terms energy: -332.389441
where:
bonds (distance) C4'-P energy: -59.734
bonds (distance) P-C4' energy: -64.872
flat angles C4'-P-C4' energy: -73.305
flat angles P-C4'-P energy: -46.314
tors. eta vs tors. theta energy: -88.165
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: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -913.119847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.119847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.119847 (E_RNA)
where:
Base-Base interactions energy: -623.068
where: short stacking energy: -267.457
Base-Backbone interact. energy: -1.865
local terms energy: -288.186922
where:
bonds (distance) C4'-P energy: -54.027
bonds (distance) P-C4' energy: -59.047
flat angles C4'-P-C4' energy: -69.255
flat angles P-C4'-P energy: -45.290
tors. eta vs tors. theta energy: -60.567
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: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -866.959775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.959775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.959775 (E_RNA)
where:
Base-Base interactions energy: -578.633
where: short stacking energy: -263.772
Base-Backbone interact. energy: -0.620
local terms energy: -288.516908
where:
bonds (distance) C4'-P energy: -55.840
bonds (distance) P-C4' energy: -55.636
flat angles C4'-P-C4' energy: -64.553
flat angles P-C4'-P energy: -40.696
tors. eta vs tors. theta energy: -71.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.810 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -683.716692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.716692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.716692 (E_RNA)
where:
Base-Base interactions energy: -433.385
where: short stacking energy: -229.774
Base-Backbone interact. energy: -1.896
local terms energy: -248.435355
where:
bonds (distance) C4'-P energy: -50.787
bonds (distance) P-C4' energy: -43.078
flat angles C4'-P-C4' energy: -62.236
flat angles P-C4'-P energy: -38.822
tors. eta vs tors. theta energy: -53.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -614.232839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.232839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.232839 (E_RNA)
where:
Base-Base interactions energy: -374.033
where: short stacking energy: -164.435
Base-Backbone interact. energy: -0.644
local terms energy: -239.555444
where:
bonds (distance) C4'-P energy: -59.455
bonds (distance) P-C4' energy: -57.187
flat angles C4'-P-C4' energy: -46.697
flat angles P-C4'-P energy: -39.605
tors. eta vs tors. theta energy: -36.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -574.947534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.947534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.947534 (E_RNA)
where:
Base-Base interactions energy: -365.750
where: short stacking energy: -175.397
Base-Backbone interact. energy: -0.691
local terms energy: -208.506548
where:
bonds (distance) C4'-P energy: -60.809
bonds (distance) P-C4' energy: -54.580
flat angles C4'-P-C4' energy: -32.050
flat angles P-C4'-P energy: -31.163
tors. eta vs tors. theta energy: -29.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -445.974309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.974309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.974309 (E_RNA)
where:
Base-Base interactions energy: -236.489
where: short stacking energy: -148.225
Base-Backbone interact. energy: -2.728
local terms energy: -206.757598
where:
bonds (distance) C4'-P energy: -57.682
bonds (distance) P-C4' energy: -54.369
flat angles C4'-P-C4' energy: -50.052
flat angles P-C4'-P energy: -26.117
tors. eta vs tors. theta energy: -18.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -267.729262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.729262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.729262 (E_RNA)
where:
Base-Base interactions energy: -112.934
where: short stacking energy: -83.682
Base-Backbone interact. energy: 2.043
local terms energy: -156.837464
where:
bonds (distance) C4'-P energy: -55.608
bonds (distance) P-C4' energy: -49.380
flat angles C4'-P-C4' energy: -41.502
flat angles P-C4'-P energy: -18.605
tors. eta vs tors. theta energy: 8.257
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: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1041.090040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.090040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.090040 (E_RNA)
where:
Base-Base interactions energy: -722.563
where: short stacking energy: -321.154
Base-Backbone interact. energy: 0.570
local terms energy: -319.097527
where:
bonds (distance) C4'-P energy: -59.726
bonds (distance) P-C4' energy: -64.980
flat angles C4'-P-C4' energy: -67.127
flat angles P-C4'-P energy: -45.121
tors. eta vs tors. theta energy: -82.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1067.946192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.946192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.946192 (E_RNA)
where:
Base-Base interactions energy: -738.555
where: short stacking energy: -307.913
Base-Backbone interact. energy: -2.808
local terms energy: -326.583331
where:
bonds (distance) C4'-P energy: -56.824
bonds (distance) P-C4' energy: -67.238
flat angles C4'-P-C4' energy: -75.002
flat angles P-C4'-P energy: -41.670
tors. eta vs tors. theta energy: -85.850
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: 10
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -978.765268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.765268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.765268 (E_RNA)
where:
Base-Base interactions energy: -643.316
where: short stacking energy: -288.068
Base-Backbone interact. energy: 1.253
local terms energy: -336.702610
where:
bonds (distance) C4'-P energy: -67.396
bonds (distance) P-C4' energy: -63.417
flat angles C4'-P-C4' energy: -64.238
flat angles P-C4'-P energy: -42.158
tors. eta vs tors. theta energy: -99.494
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: 4, replica: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -908.203093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.203093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.203093 (E_RNA)
where:
Base-Base interactions energy: -591.923
where: short stacking energy: -268.854
Base-Backbone interact. energy: -0.162
local terms energy: -316.118060
where:
bonds (distance) C4'-P energy: -62.304
bonds (distance) P-C4' energy: -65.772
flat angles C4'-P-C4' energy: -64.584
flat angles P-C4'-P energy: -43.360
tors. eta vs tors. theta energy: -80.098
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: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -848.179701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.179701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.179701 (E_RNA)
where:
Base-Base interactions energy: -545.374
where: short stacking energy: -246.410
Base-Backbone interact. energy: -1.106
local terms energy: -301.830683
where:
bonds (distance) C4'-P energy: -57.731
bonds (distance) P-C4' energy: -68.198
flat angles C4'-P-C4' energy: -57.744
flat angles P-C4'-P energy: -41.092
tors. eta vs tors. theta energy: -77.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.131 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -660.662740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.662740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.662740 (E_RNA)
where:
Base-Base interactions energy: -407.276
where: short stacking energy: -200.394
Base-Backbone interact. energy: 1.665
local terms energy: -255.051597
where:
bonds (distance) C4'-P energy: -54.898
bonds (distance) P-C4' energy: -56.590
flat angles C4'-P-C4' energy: -58.563
flat angles P-C4'-P energy: -40.294
tors. eta vs tors. theta energy: -44.706
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: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -576.137520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.137520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.137520 (E_RNA)
where:
Base-Base interactions energy: -324.299
where: short stacking energy: -172.509
Base-Backbone interact. energy: -1.529
local terms energy: -250.309240
where:
bonds (distance) C4'-P energy: -57.113
bonds (distance) P-C4' energy: -67.962
flat angles C4'-P-C4' energy: -52.034
flat angles P-C4'-P energy: -35.450
tors. eta vs tors. theta energy: -37.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -529.051429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.051429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.051429 (E_RNA)
where:
Base-Base interactions energy: -296.520
where: short stacking energy: -154.701
Base-Backbone interact. energy: -1.507
local terms energy: -231.177275
where:
bonds (distance) C4'-P energy: -57.383
bonds (distance) P-C4' energy: -51.433
flat angles C4'-P-C4' energy: -53.668
flat angles P-C4'-P energy: -25.895
tors. eta vs tors. theta energy: -42.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.153 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -418.073974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.073974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.073974 (E_RNA)
where:
Base-Base interactions energy: -217.121
where: short stacking energy: -121.562
Base-Backbone interact. energy: 6.048
local terms energy: -207.000921
where:
bonds (distance) C4'-P energy: -58.332
bonds (distance) P-C4' energy: -60.529
flat angles C4'-P-C4' energy: -48.794
flat angles P-C4'-P energy: -27.771
tors. eta vs tors. theta energy: -11.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -276.372774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.372774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.372774 (E_RNA)
where:
Base-Base interactions energy: -95.722
where: short stacking energy: -86.168
Base-Backbone interact. energy: -1.120
local terms energy: -179.531460
where:
bonds (distance) C4'-P energy: -62.418
bonds (distance) P-C4' energy: -51.624
flat angles C4'-P-C4' energy: -44.460
flat angles P-C4'-P energy: -26.668
tors. eta vs tors. theta energy: 5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1076.992762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.992762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.992762 (E_RNA)
where:
Base-Base interactions energy: -738.578
where: short stacking energy: -312.525
Base-Backbone interact. energy: 0.529
local terms energy: -338.944256
where:
bonds (distance) C4'-P energy: -74.066
bonds (distance) P-C4' energy: -68.677
flat angles C4'-P-C4' energy: -76.721
flat angles P-C4'-P energy: -38.815
tors. eta vs tors. theta energy: -80.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1024.286592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.286592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.286592 (E_RNA)
where:
Base-Base interactions energy: -710.845
where: short stacking energy: -300.744
Base-Backbone interact. energy: -2.521
local terms energy: -311.037317
where:
bonds (distance) C4'-P energy: -59.726
bonds (distance) P-C4' energy: -54.632
flat angles C4'-P-C4' energy: -65.733
flat angles P-C4'-P energy: -48.564
tors. eta vs tors. theta energy: -82.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.117 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -931.880791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.880791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.880791 (E_RNA)
where:
Base-Base interactions energy: -624.801
where: short stacking energy: -279.691
Base-Backbone interact. energy: -1.496
local terms energy: -305.666337
where:
bonds (distance) C4'-P energy: -51.914
bonds (distance) P-C4' energy: -66.159
flat angles C4'-P-C4' energy: -60.433
flat angles P-C4'-P energy: -37.686
tors. eta vs tors. theta energy: -89.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.082 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -891.190658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.190658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.190658 (E_RNA)
where:
Base-Base interactions energy: -592.498
where: short stacking energy: -251.586
Base-Backbone interact. energy: -2.719
local terms energy: -296.419638
where:
bonds (distance) C4'-P energy: -57.323
bonds (distance) P-C4' energy: -63.979
flat angles C4'-P-C4' energy: -66.412
flat angles P-C4'-P energy: -45.376
tors. eta vs tors. theta energy: -63.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.446 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -829.206973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.206973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.206973 (E_RNA)
where:
Base-Base interactions energy: -553.572
where: short stacking energy: -228.107
Base-Backbone interact. energy: -0.928
local terms energy: -274.707033
where:
bonds (distance) C4'-P energy: -44.457
bonds (distance) P-C4' energy: -56.375
flat angles C4'-P-C4' energy: -57.396
flat angles P-C4'-P energy: -51.113
tors. eta vs tors. theta energy: -65.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -712.606188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.606188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.606188 (E_RNA)
where:
Base-Base interactions energy: -437.896
where: short stacking energy: -214.318
Base-Backbone interact. energy: 0.773
local terms energy: -275.482402
where:
bonds (distance) C4'-P energy: -60.775
bonds (distance) P-C4' energy: -62.146
flat angles C4'-P-C4' energy: -63.886
flat angles P-C4'-P energy: -28.530
tors. eta vs tors. theta energy: -60.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -563.538893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.538893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.538893 (E_RNA)
where:
Base-Base interactions energy: -316.093
where: short stacking energy: -154.364
Base-Backbone interact. energy: -0.836
local terms energy: -246.610244
where:
bonds (distance) C4'-P energy: -63.867
bonds (distance) P-C4' energy: -59.516
flat angles C4'-P-C4' energy: -55.752
flat angles P-C4'-P energy: -46.253
tors. eta vs tors. theta energy: -21.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -547.757796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.757796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.757796 (E_RNA)
where:
Base-Base interactions energy: -305.430
where: short stacking energy: -147.308
Base-Backbone interact. energy: 0.867
local terms energy: -243.195250
where:
bonds (distance) C4'-P energy: -48.389
bonds (distance) P-C4' energy: -62.313
flat angles C4'-P-C4' energy: -66.745
flat angles P-C4'-P energy: -34.109
tors. eta vs tors. theta energy: -31.639
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: 3
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -368.937590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.937590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.937590 (E_RNA)
where:
Base-Base interactions energy: -186.403
where: short stacking energy: -117.794
Base-Backbone interact. energy: 0.378
local terms energy: -182.912823
where:
bonds (distance) C4'-P energy: -50.299
bonds (distance) P-C4' energy: -54.864
flat angles C4'-P-C4' energy: -45.937
flat angles P-C4'-P energy: -28.688
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -308.179461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.179461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.179461 (E_RNA)
where:
Base-Base interactions energy: -136.661
where: short stacking energy: -99.929
Base-Backbone interact. energy: 1.893
local terms energy: -173.411538
where:
bonds (distance) C4'-P energy: -51.133
bonds (distance) P-C4' energy: -56.026
flat angles C4'-P-C4' energy: -40.196
flat angles P-C4'-P energy: -29.535
tors. eta vs tors. theta energy: 3.478
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: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1081.692052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.692052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.692052 (E_RNA)
where:
Base-Base interactions energy: -750.947
where: short stacking energy: -320.024
Base-Backbone interact. energy: 3.960
local terms energy: -334.705197
where:
bonds (distance) C4'-P energy: -60.616
bonds (distance) P-C4' energy: -69.527
flat angles C4'-P-C4' energy: -76.022
flat angles P-C4'-P energy: -44.895
tors. eta vs tors. theta energy: -83.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1060.582266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.582266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.582266 (E_RNA)
where:
Base-Base interactions energy: -732.443
where: short stacking energy: -308.217
Base-Backbone interact. energy: -4.866
local terms energy: -324.152483
where:
bonds (distance) C4'-P energy: -48.158
bonds (distance) P-C4' energy: -73.605
flat angles C4'-P-C4' energy: -73.971
flat angles P-C4'-P energy: -43.646
tors. eta vs tors. theta energy: -84.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.879 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -945.457245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.457245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.457245 (E_RNA)
where:
Base-Base interactions energy: -625.455
where: short stacking energy: -278.631
Base-Backbone interact. energy: -0.932
local terms energy: -319.070562
where:
bonds (distance) C4'-P energy: -57.947
bonds (distance) P-C4' energy: -68.936
flat angles C4'-P-C4' energy: -71.278
flat angles P-C4'-P energy: -45.377
tors. eta vs tors. theta energy: -75.532
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: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -910.060082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.060082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.060082 (E_RNA)
where:
Base-Base interactions energy: -607.826
where: short stacking energy: -278.696
Base-Backbone interact. energy: 1.257
local terms energy: -303.491193
where:
bonds (distance) C4'-P energy: -60.941
bonds (distance) P-C4' energy: -60.729
flat angles C4'-P-C4' energy: -76.006
flat angles P-C4'-P energy: -30.572
tors. eta vs tors. theta energy: -75.243
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: 5
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -821.569935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.569935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.569935 (E_RNA)
where:
Base-Base interactions energy: -534.951
where: short stacking energy: -244.532
Base-Backbone interact. energy: -0.777
local terms energy: -285.842277
where:
bonds (distance) C4'-P energy: -63.157
bonds (distance) P-C4' energy: -50.887
flat angles C4'-P-C4' energy: -67.407
flat angles P-C4'-P energy: -41.819
tors. eta vs tors. theta energy: -62.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -702.065564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.065564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.065564 (E_RNA)
where:
Base-Base interactions energy: -425.825
where: short stacking energy: -213.843
Base-Backbone interact. energy: -0.798
local terms energy: -275.442401
where:
bonds (distance) C4'-P energy: -53.640
bonds (distance) P-C4' energy: -57.399
flat angles C4'-P-C4' energy: -66.314
flat angles P-C4'-P energy: -38.170
tors. eta vs tors. theta energy: -59.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -555.414143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.414143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.414143 (E_RNA)
where:
Base-Base interactions energy: -319.550
where: short stacking energy: -161.759
Base-Backbone interact. energy: -0.839
local terms energy: -235.025234
where:
bonds (distance) C4'-P energy: -52.271
bonds (distance) P-C4' energy: -41.895
flat angles C4'-P-C4' energy: -67.225
flat angles P-C4'-P energy: -39.447
tors. eta vs tors. theta energy: -34.188
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: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -510.990169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.990169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.990169 (E_RNA)
where:
Base-Base interactions energy: -322.672
where: short stacking energy: -162.695
Base-Backbone interact. energy: 1.793
local terms energy: -190.110426
where:
bonds (distance) C4'-P energy: -49.354
bonds (distance) P-C4' energy: -50.997
flat angles C4'-P-C4' energy: -46.052
flat angles P-C4'-P energy: -26.601
tors. eta vs tors. theta energy: -17.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -384.157217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.157217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.157217 (E_RNA)
where:
Base-Base interactions energy: -200.195
where: short stacking energy: -99.640
Base-Backbone interact. energy: 1.213
local terms energy: -185.174556
where:
bonds (distance) C4'-P energy: -45.874
bonds (distance) P-C4' energy: -53.374
flat angles C4'-P-C4' energy: -52.808
flat angles P-C4'-P energy: -27.732
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: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -345.865516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.865516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.865516 (E_RNA)
where:
Base-Base interactions energy: -196.671
where: short stacking energy: -102.968
Base-Backbone interact. energy: -2.583
local terms energy: -149.237179
where:
bonds (distance) C4'-P energy: -43.738
bonds (distance) P-C4' energy: -45.561
flat angles C4'-P-C4' energy: -40.871
flat angles P-C4'-P energy: -29.222
tors. eta vs tors. theta energy: 10.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.625 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1069.908180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.908180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.908180 (E_RNA)
where:
Base-Base interactions energy: -748.603
where: short stacking energy: -317.722
Base-Backbone interact. energy: -0.908
local terms energy: -320.397699
where:
bonds (distance) C4'-P energy: -46.680
bonds (distance) P-C4' energy: -70.230
flat angles C4'-P-C4' energy: -79.444
flat angles P-C4'-P energy: -44.082
tors. eta vs tors. theta energy: -79.961
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: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1057.133491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.133491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.133491 (E_RNA)
where:
Base-Base interactions energy: -711.707
where: short stacking energy: -295.727
Base-Backbone interact. energy: -1.751
local terms energy: -343.675746
where:
bonds (distance) C4'-P energy: -59.643
bonds (distance) P-C4' energy: -71.883
flat angles C4'-P-C4' energy: -73.093
flat angles P-C4'-P energy: -51.802
tors. eta vs tors. theta energy: -87.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -967.545513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.545513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.545513 (E_RNA)
where:
Base-Base interactions energy: -638.903
where: short stacking energy: -291.284
Base-Backbone interact. energy: -0.828
local terms energy: -327.813901
where:
bonds (distance) C4'-P energy: -56.120
bonds (distance) P-C4' energy: -59.971
flat angles C4'-P-C4' energy: -72.728
flat angles P-C4'-P energy: -47.671
tors. eta vs tors. theta energy: -91.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -932.414325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.414325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.414325 (E_RNA)
where:
Base-Base interactions energy: -615.324
where: short stacking energy: -272.271
Base-Backbone interact. energy: -1.740
local terms energy: -315.349878
where:
bonds (distance) C4'-P energy: -59.986
bonds (distance) P-C4' energy: -59.554
flat angles C4'-P-C4' energy: -66.363
flat angles P-C4'-P energy: -55.045
tors. eta vs tors. theta energy: -74.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -851.410131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.410131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.410131 (E_RNA)
where:
Base-Base interactions energy: -556.180
where: short stacking energy: -241.750
Base-Backbone interact. energy: -1.407
local terms energy: -293.823194
where:
bonds (distance) C4'-P energy: -65.675
bonds (distance) P-C4' energy: -54.603
flat angles C4'-P-C4' energy: -59.448
flat angles P-C4'-P energy: -52.752
tors. eta vs tors. theta energy: -61.346
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: 6, replica: 2
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -659.503250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.503250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.503250 (E_RNA)
where:
Base-Base interactions energy: -416.219
where: short stacking energy: -186.556
Base-Backbone interact. energy: -0.686
local terms energy: -242.597795
where:
bonds (distance) C4'-P energy: -48.061
bonds (distance) P-C4' energy: -59.316
flat angles C4'-P-C4' energy: -63.678
flat angles P-C4'-P energy: -33.157
tors. eta vs tors. theta energy: -38.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -557.149175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.149175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.149175 (E_RNA)
where:
Base-Base interactions energy: -336.894
where: short stacking energy: -163.453
Base-Backbone interact. energy: 0.615
local terms energy: -220.870652
where:
bonds (distance) C4'-P energy: -60.966
bonds (distance) P-C4' energy: -58.751
flat angles C4'-P-C4' energy: -54.620
flat angles P-C4'-P energy: -25.821
tors. eta vs tors. theta energy: -20.713
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: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -528.643816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.643816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.643816 (E_RNA)
where:
Base-Base interactions energy: -288.486
where: short stacking energy: -162.028
Base-Backbone interact. energy: -2.626
local terms energy: -237.532498
where:
bonds (distance) C4'-P energy: -64.301
bonds (distance) P-C4' energy: -54.556
flat angles C4'-P-C4' energy: -52.499
flat angles P-C4'-P energy: -39.799
tors. eta vs tors. theta energy: -26.378
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: 3
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -408.013893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.013893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.013893 (E_RNA)
where:
Base-Base interactions energy: -195.062
where: short stacking energy: -105.398
Base-Backbone interact. energy: -1.662
local terms energy: -211.290297
where:
bonds (distance) C4'-P energy: -59.147
bonds (distance) P-C4' energy: -43.781
flat angles C4'-P-C4' energy: -60.494
flat angles P-C4'-P energy: -29.316
tors. eta vs tors. theta energy: -18.553
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: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -267.963523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.963523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.963523 (E_RNA)
where:
Base-Base interactions energy: -92.509
where: short stacking energy: -63.600
Base-Backbone interact. energy: -0.595
local terms energy: -174.866808
where:
bonds (distance) C4'-P energy: -58.539
bonds (distance) P-C4' energy: -62.480
flat angles C4'-P-C4' energy: -34.563
flat angles P-C4'-P energy: -28.534
tors. eta vs tors. theta energy: 9.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.008 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1075.484592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.484592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.484592 (E_RNA)
where:
Base-Base interactions energy: -748.839
where: short stacking energy: -305.566
Base-Backbone interact. energy: -2.179
local terms energy: -324.466818
where:
bonds (distance) C4'-P energy: -63.724
bonds (distance) P-C4' energy: -67.218
flat angles C4'-P-C4' energy: -65.602
flat angles P-C4'-P energy: -46.546
tors. eta vs tors. theta energy: -81.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1043.643335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.643335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.643335 (E_RNA)
where:
Base-Base interactions energy: -705.904
where: short stacking energy: -302.536
Base-Backbone interact. energy: -2.513
local terms energy: -335.226261
where:
bonds (distance) C4'-P energy: -65.513
bonds (distance) P-C4' energy: -70.966
flat angles C4'-P-C4' energy: -67.511
flat angles P-C4'-P energy: -46.845
tors. eta vs tors. theta energy: -84.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -955.519227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.519227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.519227 (E_RNA)
where:
Base-Base interactions energy: -621.110
where: short stacking energy: -298.265
Base-Backbone interact. energy: -0.007
local terms energy: -334.498389
where:
bonds (distance) C4'-P energy: -55.729
bonds (distance) P-C4' energy: -63.598
flat angles C4'-P-C4' energy: -74.364
flat angles P-C4'-P energy: -49.351
tors. eta vs tors. theta energy: -91.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.096 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -923.035691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.035691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.035691 (E_RNA)
where:
Base-Base interactions energy: -617.190
where: short stacking energy: -262.921
Base-Backbone interact. energy: -0.313
local terms energy: -305.532347
where:
bonds (distance) C4'-P energy: -63.385
bonds (distance) P-C4' energy: -66.120
flat angles C4'-P-C4' energy: -67.397
flat angles P-C4'-P energy: -34.122
tors. eta vs tors. theta energy: -74.508
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: 5
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -826.957909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.957909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.957909 (E_RNA)
where:
Base-Base interactions energy: -533.785
where: short stacking energy: -253.251
Base-Backbone interact. energy: -0.937
local terms energy: -292.236092
where:
bonds (distance) C4'-P energy: -55.023
bonds (distance) P-C4' energy: -73.096
flat angles C4'-P-C4' energy: -61.825
flat angles P-C4'-P energy: -29.852
tors. eta vs tors. theta energy: -72.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -687.931978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.931978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.931978 (E_RNA)
where:
Base-Base interactions energy: -427.715
where: short stacking energy: -198.477
Base-Backbone interact. energy: 0.079
local terms energy: -260.296361
where:
bonds (distance) C4'-P energy: -58.326
bonds (distance) P-C4' energy: -62.822
flat angles C4'-P-C4' energy: -53.062
flat angles P-C4'-P energy: -37.192
tors. eta vs tors. theta energy: -48.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -548.885930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.885930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.885930 (E_RNA)
where:
Base-Base interactions energy: -324.538
where: short stacking energy: -165.588
Base-Backbone interact. energy: -1.378
local terms energy: -222.969274
where:
bonds (distance) C4'-P energy: -55.544
bonds (distance) P-C4' energy: -51.501
flat angles C4'-P-C4' energy: -56.621
flat angles P-C4'-P energy: -29.560
tors. eta vs tors. theta energy: -29.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -592.478853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.478853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.478853 (E_RNA)
where:
Base-Base interactions energy: -380.374
where: short stacking energy: -180.075
Base-Backbone interact. energy: -0.991
local terms energy: -211.114454
where:
bonds (distance) C4'-P energy: -48.426
bonds (distance) P-C4' energy: -49.260
flat angles C4'-P-C4' energy: -56.751
flat angles P-C4'-P energy: -21.008
tors. eta vs tors. theta energy: -35.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -366.301566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.301566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.301566 (E_RNA)
where:
Base-Base interactions energy: -185.336
where: short stacking energy: -101.554
Base-Backbone interact. energy: -0.049
local terms energy: -180.916849
where:
bonds (distance) C4'-P energy: -60.981
bonds (distance) P-C4' energy: -49.697
flat angles C4'-P-C4' energy: -45.359
flat angles P-C4'-P energy: -25.823
tors. eta vs tors. theta energy: 0.943
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: 332
Temperature: 1.350000
Total energy: -271.747929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.747929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.747929 (E_RNA)
where:
Base-Base interactions energy: -100.315
where: short stacking energy: -91.175
Base-Backbone interact. energy: -1.999
local terms energy: -169.433539
where:
bonds (distance) C4'-P energy: -41.456
bonds (distance) P-C4' energy: -57.405
flat angles C4'-P-C4' energy: -46.971
flat angles P-C4'-P energy: -27.405
tors. eta vs tors. theta energy: 3.803
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: 1, replica: 8
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1076.204204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.204204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.204204 (E_RNA)
where:
Base-Base interactions energy: -730.946
where: short stacking energy: -322.059
Base-Backbone interact. energy: -1.883
local terms energy: -343.375438
where:
bonds (distance) C4'-P energy: -61.992
bonds (distance) P-C4' energy: -67.127
flat angles C4'-P-C4' energy: -76.352
flat angles P-C4'-P energy: -47.540
tors. eta vs tors. theta energy: -90.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1039.453276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.453276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.453276 (E_RNA)
where:
Base-Base interactions energy: -722.013
where: short stacking energy: -285.958
Base-Backbone interact. energy: -3.406
local terms energy: -314.034285
where:
bonds (distance) C4'-P energy: -56.422
bonds (distance) P-C4' energy: -63.781
flat angles C4'-P-C4' energy: -62.728
flat angles P-C4'-P energy: -48.055
tors. eta vs tors. theta energy: -83.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -973.975326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.975326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.975326 (E_RNA)
where:
Base-Base interactions energy: -636.184
where: short stacking energy: -289.293
Base-Backbone interact. energy: -1.966
local terms energy: -335.825111
where:
bonds (distance) C4'-P energy: -60.739
bonds (distance) P-C4' energy: -61.626
flat angles C4'-P-C4' energy: -75.884
flat angles P-C4'-P energy: -46.263
tors. eta vs tors. theta energy: -91.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -890.424101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.424101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.424101 (E_RNA)
where:
Base-Base interactions energy: -593.290
where: short stacking energy: -254.506
Base-Backbone interact. energy: 0.791
local terms energy: -297.925028
where:
bonds (distance) C4'-P energy: -71.073
bonds (distance) P-C4' energy: -46.850
flat angles C4'-P-C4' energy: -64.547
flat angles P-C4'-P energy: -46.968
tors. eta vs tors. theta energy: -68.488
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: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -861.013401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.013401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.013401 (E_RNA)
where:
Base-Base interactions energy: -548.777
where: short stacking energy: -255.798
Base-Backbone interact. energy: -0.914
local terms energy: -311.322317
where:
bonds (distance) C4'-P energy: -61.407
bonds (distance) P-C4' energy: -69.060
flat angles C4'-P-C4' energy: -64.801
flat angles P-C4'-P energy: -42.540
tors. eta vs tors. theta energy: -73.514
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: 6, replica: 2
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -738.706209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.706209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.706209 (E_RNA)
where:
Base-Base interactions energy: -483.299
where: short stacking energy: -208.795
Base-Backbone interact. energy: -3.100
local terms energy: -252.307099
where:
bonds (distance) C4'-P energy: -51.144
bonds (distance) P-C4' energy: -59.885
flat angles C4'-P-C4' energy: -59.260
flat angles P-C4'-P energy: -31.418
tors. eta vs tors. theta energy: -50.601
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: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -567.673218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.673218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.673218 (E_RNA)
where:
Base-Base interactions energy: -334.999
where: short stacking energy: -173.910
Base-Backbone interact. energy: -1.325
local terms energy: -231.349603
where:
bonds (distance) C4'-P energy: -49.869
bonds (distance) P-C4' energy: -59.665
flat angles C4'-P-C4' energy: -60.588
flat angles P-C4'-P energy: -31.995
tors. eta vs tors. theta energy: -29.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -616.409210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.409210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.409210 (E_RNA)
where:
Base-Base interactions energy: -380.319
where: short stacking energy: -171.923
Base-Backbone interact. energy: -1.229
local terms energy: -234.861193
where:
bonds (distance) C4'-P energy: -52.582
bonds (distance) P-C4' energy: -48.012
flat angles C4'-P-C4' energy: -56.301
flat angles P-C4'-P energy: -42.641
tors. eta vs tors. theta energy: -35.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -302.195923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.195923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.195923 (E_RNA)
where:
Base-Base interactions energy: -106.271
where: short stacking energy: -79.817
Base-Backbone interact. energy: 0.380
local terms energy: -196.304551
where:
bonds (distance) C4'-P energy: -61.902
bonds (distance) P-C4' energy: -68.288
flat angles C4'-P-C4' energy: -42.731
flat angles P-C4'-P energy: -28.998
tors. eta vs tors. theta energy: 5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -264.936327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.936327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.936327 (E_RNA)
where:
Base-Base interactions energy: -90.378
where: short stacking energy: -74.378
Base-Backbone interact. energy: -0.607
local terms energy: -173.950893
where:
bonds (distance) C4'-P energy: -57.080
bonds (distance) P-C4' energy: -46.810
flat angles C4'-P-C4' energy: -50.495
flat angles P-C4'-P energy: -31.222
tors. eta vs tors. theta energy: 11.655
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: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1073.793231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.793231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.793231 (E_RNA)
where:
Base-Base interactions energy: -752.023
where: short stacking energy: -296.726
Base-Backbone interact. energy: 0.493
local terms energy: -322.263012
where:
bonds (distance) C4'-P energy: -64.797
bonds (distance) P-C4' energy: -63.228
flat angles C4'-P-C4' energy: -69.946
flat angles P-C4'-P energy: -47.144
tors. eta vs tors. theta energy: -77.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1044.058704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.058704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.058704 (E_RNA)
where:
Base-Base interactions energy: -706.005
where: short stacking energy: -304.705
Base-Backbone interact. energy: 3.696
local terms energy: -341.749784
where:
bonds (distance) C4'-P energy: -64.048
bonds (distance) P-C4' energy: -70.917
flat angles C4'-P-C4' energy: -70.773
flat angles P-C4'-P energy: -48.865
tors. eta vs tors. theta energy: -87.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -947.318501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.318501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.318501 (E_RNA)
where:
Base-Base interactions energy: -615.896
where: short stacking energy: -278.328
Base-Backbone interact. energy: -0.567
local terms energy: -331.955300
where:
bonds (distance) C4'-P energy: -65.304
bonds (distance) P-C4' energy: -60.527
flat angles C4'-P-C4' energy: -70.571
flat angles P-C4'-P energy: -47.892
tors. eta vs tors. theta energy: -87.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.100 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -934.472781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.472781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.472781 (E_RNA)
where:
Base-Base interactions energy: -612.004
where: short stacking energy: -277.084
Base-Backbone interact. energy: -3.432
local terms energy: -319.037140
where:
bonds (distance) C4'-P energy: -59.504
bonds (distance) P-C4' energy: -59.280
flat angles C4'-P-C4' energy: -76.175
flat angles P-C4'-P energy: -43.825
tors. eta vs tors. theta energy: -80.253
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: 5, replica: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -832.337647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.337647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.337647 (E_RNA)
where:
Base-Base interactions energy: -554.229
where: short stacking energy: -223.382
Base-Backbone interact. energy: -1.210
local terms energy: -276.898127
where:
bonds (distance) C4'-P energy: -49.249
bonds (distance) P-C4' energy: -59.498
flat angles C4'-P-C4' energy: -68.495
flat angles P-C4'-P energy: -41.706
tors. eta vs tors. theta energy: -57.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -748.402366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.402366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.402366 (E_RNA)
where:
Base-Base interactions energy: -475.571
where: short stacking energy: -216.306
Base-Backbone interact. energy: -1.674
local terms energy: -271.157495
where:
bonds (distance) C4'-P energy: -56.737
bonds (distance) P-C4' energy: -64.916
flat angles C4'-P-C4' energy: -60.368
flat angles P-C4'-P energy: -44.178
tors. eta vs tors. theta energy: -44.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -623.484883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.484883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.484883 (E_RNA)
where:
Base-Base interactions energy: -378.416
where: short stacking energy: -169.036
Base-Backbone interact. energy: 1.111
local terms energy: -246.179430
where:
bonds (distance) C4'-P energy: -60.184
bonds (distance) P-C4' energy: -60.063
flat angles C4'-P-C4' energy: -56.712
flat angles P-C4'-P energy: -34.142
tors. eta vs tors. theta energy: -35.078
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: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -529.487970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.487970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.487970 (E_RNA)
where:
Base-Base interactions energy: -324.791
where: short stacking energy: -163.345
Base-Backbone interact. energy: -1.818
local terms energy: -202.879340
where:
bonds (distance) C4'-P energy: -58.384
bonds (distance) P-C4' energy: -45.366
flat angles C4'-P-C4' energy: -50.893
flat angles P-C4'-P energy: -30.129
tors. eta vs tors. theta energy: -18.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -280.945719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.945719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.945719 (E_RNA)
where:
Base-Base interactions energy: -106.198
where: short stacking energy: -87.480
Base-Backbone interact. energy: 0.868
local terms energy: -175.616226
where:
bonds (distance) C4'-P energy: -55.236
bonds (distance) P-C4' energy: -54.819
flat angles C4'-P-C4' energy: -50.185
flat angles P-C4'-P energy: -27.089
tors. eta vs tors. theta energy: 11.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -262.850668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.850668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.850668 (E_RNA)
where:
Base-Base interactions energy: -104.657
where: short stacking energy: -63.512
Base-Backbone interact. energy: -0.120
local terms energy: -158.073416
where:
bonds (distance) C4'-P energy: -42.784
bonds (distance) P-C4' energy: -64.199
flat angles C4'-P-C4' energy: -41.092
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: 8.504
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: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1100.606425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.606425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.606425 (E_RNA)
where:
Base-Base interactions energy: -754.116
where: short stacking energy: -317.523
Base-Backbone interact. energy: -4.491
local terms energy: -341.998724
where:
bonds (distance) C4'-P energy: -67.965
bonds (distance) P-C4' energy: -71.655
flat angles C4'-P-C4' energy: -72.339
flat angles P-C4'-P energy: -44.104
tors. eta vs tors. theta energy: -85.935
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: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1034.656732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.656732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.656732 (E_RNA)
where:
Base-Base interactions energy: -691.727
where: short stacking energy: -315.805
Base-Backbone interact. energy: -3.231
local terms energy: -339.698692
where:
bonds (distance) C4'-P energy: -63.380
bonds (distance) P-C4' energy: -65.761
flat angles C4'-P-C4' energy: -66.771
flat angles P-C4'-P energy: -55.264
tors. eta vs tors. theta energy: -88.523
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: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -923.996203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.996203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.996203 (E_RNA)
where:
Base-Base interactions energy: -611.167
where: short stacking energy: -269.834
Base-Backbone interact. energy: -0.514
local terms energy: -312.315448
where:
bonds (distance) C4'-P energy: -55.276
bonds (distance) P-C4' energy: -63.168
flat angles C4'-P-C4' energy: -65.853
flat angles P-C4'-P energy: -50.438
tors. eta vs tors. theta energy: -77.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -929.250110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.250110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.250110 (E_RNA)
where:
Base-Base interactions energy: -608.503
where: short stacking energy: -260.291
Base-Backbone interact. energy: -2.174
local terms energy: -318.572870
where:
bonds (distance) C4'-P energy: -59.334
bonds (distance) P-C4' energy: -60.741
flat angles C4'-P-C4' energy: -68.808
flat angles P-C4'-P energy: -44.001
tors. eta vs tors. theta energy: -85.689
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: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -870.385707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.385707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.385707 (E_RNA)
where:
Base-Base interactions energy: -590.037
where: short stacking energy: -243.018
Base-Backbone interact. energy: -0.577
local terms energy: -279.771555
where:
bonds (distance) C4'-P energy: -59.121
bonds (distance) P-C4' energy: -54.286
flat angles C4'-P-C4' energy: -72.813
flat angles P-C4'-P energy: -29.153
tors. eta vs tors. theta energy: -64.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -719.914495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.914495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.914495 (E_RNA)
where:
Base-Base interactions energy: -464.278
where: short stacking energy: -198.597
Base-Backbone interact. energy: 1.792
local terms energy: -257.428489
where:
bonds (distance) C4'-P energy: -58.852
bonds (distance) P-C4' energy: -58.885
flat angles C4'-P-C4' energy: -58.337
flat angles P-C4'-P energy: -43.860
tors. eta vs tors. theta energy: -37.494
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: 1
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -632.419152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.419152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.419152 (E_RNA)
where:
Base-Base interactions energy: -400.792
where: short stacking energy: -191.341
Base-Backbone interact. energy: 0.206
local terms energy: -231.833125
where:
bonds (distance) C4'-P energy: -49.425
bonds (distance) P-C4' energy: -56.440
flat angles C4'-P-C4' energy: -54.432
flat angles P-C4'-P energy: -35.996
tors. eta vs tors. theta energy: -35.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -540.761017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.761017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.761017 (E_RNA)
where:
Base-Base interactions energy: -300.250
where: short stacking energy: -150.129
Base-Backbone interact. energy: 0.170
local terms energy: -240.680844
where:
bonds (distance) C4'-P energy: -64.079
bonds (distance) P-C4' energy: -52.700
flat angles C4'-P-C4' energy: -56.192
flat angles P-C4'-P energy: -34.507
tors. eta vs tors. theta energy: -33.204
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: 3
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -273.706159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.706159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.706159 (E_RNA)
where:
Base-Base interactions energy: -98.760
where: short stacking energy: -84.718
Base-Backbone interact. energy: -1.235
local terms energy: -173.711897
where:
bonds (distance) C4'-P energy: -42.183
bonds (distance) P-C4' energy: -63.360
flat angles C4'-P-C4' energy: -51.476
flat angles P-C4'-P energy: -26.759
tors. eta vs tors. theta energy: 10.066
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: 335
Temperature: 1.350000
Total energy: -281.985325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.985325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.985325 (E_RNA)
where:
Base-Base interactions energy: -114.661
where: short stacking energy: -94.465
Base-Backbone interact. energy: -0.076
local terms energy: -167.248517
where:
bonds (distance) C4'-P energy: -49.556
bonds (distance) P-C4' energy: -48.595
flat angles C4'-P-C4' energy: -45.006
flat angles P-C4'-P energy: -27.951
tors. eta vs tors. theta energy: 3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1066.143678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.143678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.143678 (E_RNA)
where:
Base-Base interactions energy: -724.010
where: short stacking energy: -302.101
Base-Backbone interact. energy: -1.847
local terms energy: -340.286488
where:
bonds (distance) C4'-P energy: -61.094
bonds (distance) P-C4' energy: -68.738
flat angles C4'-P-C4' energy: -70.620
flat angles P-C4'-P energy: -56.169
tors. eta vs tors. theta energy: -83.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1046.822537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.822537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.822537 (E_RNA)
where:
Base-Base interactions energy: -713.026
where: short stacking energy: -310.749
Base-Backbone interact. energy: -1.045
local terms energy: -332.751064
where:
bonds (distance) C4'-P energy: -61.694
bonds (distance) P-C4' energy: -60.838
flat angles C4'-P-C4' energy: -79.837
flat angles P-C4'-P energy: -42.472
tors. eta vs tors. theta energy: -87.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -969.323391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.323391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.323391 (E_RNA)
where:
Base-Base interactions energy: -646.359
where: short stacking energy: -274.939
Base-Backbone interact. energy: -2.423
local terms energy: -320.541280
where:
bonds (distance) C4'-P energy: -52.958
bonds (distance) P-C4' energy: -66.653
flat angles C4'-P-C4' energy: -78.301
flat angles P-C4'-P energy: -45.669
tors. eta vs tors. theta energy: -76.960
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: 4, replica: 10
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -909.042845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.042845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.042845 (E_RNA)
where:
Base-Base interactions energy: -610.283
where: short stacking energy: -266.522
Base-Backbone interact. energy: -2.314
local terms energy: -297.212040
where:
bonds (distance) C4'-P energy: -54.712
bonds (distance) P-C4' energy: -51.620
flat angles C4'-P-C4' energy: -68.093
flat angles P-C4'-P energy: -51.867
tors. eta vs tors. theta energy: -70.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.766 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -888.231300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.231300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.231300 (E_RNA)
where:
Base-Base interactions energy: -609.894
where: short stacking energy: -264.909
Base-Backbone interact. energy: -1.779
local terms energy: -276.558666
where:
bonds (distance) C4'-P energy: -45.797
bonds (distance) P-C4' energy: -50.310
flat angles C4'-P-C4' energy: -69.587
flat angles P-C4'-P energy: -42.089
tors. eta vs tors. theta energy: -68.776
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: 6, replica: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -736.473002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.473002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.473002 (E_RNA)
where:
Base-Base interactions energy: -500.611
where: short stacking energy: -225.603
Base-Backbone interact. energy: -2.026
local terms energy: -233.836331
where:
bonds (distance) C4'-P energy: -35.279
bonds (distance) P-C4' energy: -56.834
flat angles C4'-P-C4' energy: -56.046
flat angles P-C4'-P energy: -36.360
tors. eta vs tors. theta energy: -49.318
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: 1
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -634.217838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.217838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.217838 (E_RNA)
where:
Base-Base interactions energy: -382.585
where: short stacking energy: -174.898
Base-Backbone interact. energy: -0.010
local terms energy: -251.622363
where:
bonds (distance) C4'-P energy: -51.408
bonds (distance) P-C4' energy: -66.772
flat angles C4'-P-C4' energy: -59.292
flat angles P-C4'-P energy: -34.281
tors. eta vs tors. theta energy: -39.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -547.359167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.359167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.359167 (E_RNA)
where:
Base-Base interactions energy: -337.478
where: short stacking energy: -166.131
Base-Backbone interact. energy: 0.009
local terms energy: -209.889662
where:
bonds (distance) C4'-P energy: -43.263
bonds (distance) P-C4' energy: -57.779
flat angles C4'-P-C4' energy: -51.991
flat angles P-C4'-P energy: -30.770
tors. eta vs tors. theta energy: -26.086
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: 3
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -303.608024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.608024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.608024 (E_RNA)
where:
Base-Base interactions energy: -114.647
where: short stacking energy: -111.230
Base-Backbone interact. energy: 4.000
local terms energy: -192.960644
where:
bonds (distance) C4'-P energy: -55.338
bonds (distance) P-C4' energy: -50.068
flat angles C4'-P-C4' energy: -39.006
flat angles P-C4'-P energy: -37.004
tors. eta vs tors. theta energy: -11.543
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: 336
Temperature: 1.350000
Total energy: -285.489016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.489016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.489016 (E_RNA)
where:
Base-Base interactions energy: -109.269
where: short stacking energy: -86.342
Base-Backbone interact. energy: -0.162
local terms energy: -176.058078
where:
bonds (distance) C4'-P energy: -54.919
bonds (distance) P-C4' energy: -61.178
flat angles C4'-P-C4' energy: -40.355
flat angles P-C4'-P energy: -32.618
tors. eta vs tors. theta energy: 13.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1072.312508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.312508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.312508 (E_RNA)
where:
Base-Base interactions energy: -736.757
where: short stacking energy: -310.486
Base-Backbone interact. energy: -1.086
local terms energy: -334.469339
where:
bonds (distance) C4'-P energy: -63.662
bonds (distance) P-C4' energy: -59.820
flat angles C4'-P-C4' energy: -72.916
flat angles P-C4'-P energy: -53.903
tors. eta vs tors. theta energy: -84.168
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: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1036.604862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.604862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.604862 (E_RNA)
where:
Base-Base interactions energy: -699.670
where: short stacking energy: -304.871
Base-Backbone interact. energy: -1.354
local terms energy: -335.581151
where:
bonds (distance) C4'-P energy: -60.136
bonds (distance) P-C4' energy: -71.221
flat angles C4'-P-C4' energy: -72.748
flat angles P-C4'-P energy: -48.770
tors. eta vs tors. theta energy: -82.707
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: 3, replica: 9
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -973.474611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.474611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.474611 (E_RNA)
where:
Base-Base interactions energy: -662.597
where: short stacking energy: -284.346
Base-Backbone interact. energy: -0.485
local terms energy: -310.392012
where:
bonds (distance) C4'-P energy: -59.885
bonds (distance) P-C4' energy: -62.897
flat angles C4'-P-C4' energy: -64.639
flat angles P-C4'-P energy: -50.307
tors. eta vs tors. theta energy: -72.664
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: 4, replica: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -906.921968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.921968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.921968 (E_RNA)
where:
Base-Base interactions energy: -608.709
where: short stacking energy: -269.427
Base-Backbone interact. energy: -0.047
local terms energy: -299.451775
where:
bonds (distance) C4'-P energy: -61.054
bonds (distance) P-C4' energy: -57.853
flat angles C4'-P-C4' energy: -61.861
flat angles P-C4'-P energy: -47.502
tors. eta vs tors. theta energy: -71.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.286 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -879.612784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.612784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.612784 (E_RNA)
where:
Base-Base interactions energy: -568.207
where: short stacking energy: -262.837
Base-Backbone interact. energy: -1.870
local terms energy: -309.535608
where:
bonds (distance) C4'-P energy: -62.437
bonds (distance) P-C4' energy: -58.006
flat angles C4'-P-C4' energy: -69.466
flat angles P-C4'-P energy: -42.523
tors. eta vs tors. theta energy: -77.104
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: 2
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -744.175073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.175073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.175073 (E_RNA)
where:
Base-Base interactions energy: -483.892
where: short stacking energy: -204.354
Base-Backbone interact. energy: -1.113
local terms energy: -259.170772
where:
bonds (distance) C4'-P energy: -52.077
bonds (distance) P-C4' energy: -56.909
flat angles C4'-P-C4' energy: -48.862
flat angles P-C4'-P energy: -46.598
tors. eta vs tors. theta energy: -54.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -592.346970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.346970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.346970 (E_RNA)
where:
Base-Base interactions energy: -362.886
where: short stacking energy: -164.193
Base-Backbone interact. energy: 0.461
local terms energy: -229.921599
where:
bonds (distance) C4'-P energy: -53.602
bonds (distance) P-C4' energy: -57.446
flat angles C4'-P-C4' energy: -61.238
flat angles P-C4'-P energy: -18.815
tors. eta vs tors. theta energy: -38.820
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: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -559.094550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.094550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.094550 (E_RNA)
where:
Base-Base interactions energy: -342.006
where: short stacking energy: -149.042
Base-Backbone interact. energy: 2.354
local terms energy: -219.441687
where:
bonds (distance) C4'-P energy: -46.054
bonds (distance) P-C4' energy: -70.291
flat angles C4'-P-C4' energy: -49.841
flat angles P-C4'-P energy: -41.637
tors. eta vs tors. theta energy: -11.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -293.234370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.234370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.234370 (E_RNA)
where:
Base-Base interactions energy: -106.858
where: short stacking energy: -62.717
Base-Backbone interact. energy: -1.403
local terms energy: -184.973456
where:
bonds (distance) C4'-P energy: -58.650
bonds (distance) P-C4' energy: -53.807
flat angles C4'-P-C4' energy: -50.006
flat angles P-C4'-P energy: -33.695
tors. eta vs tors. theta energy: 11.185
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: 337
Temperature: 1.350000
Total energy: -249.413603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.413603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.413603 (E_RNA)
where:
Base-Base interactions energy: -80.161
where: short stacking energy: -67.174
Base-Backbone interact. energy: -0.389
local terms energy: -168.863137
where:
bonds (distance) C4'-P energy: -55.263
bonds (distance) P-C4' energy: -49.686
flat angles C4'-P-C4' energy: -46.441
flat angles P-C4'-P energy: -27.999
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: 1, replica: 8
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1067.429275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.429275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.429275 (E_RNA)
where:
Base-Base interactions energy: -743.058
where: short stacking energy: -311.753
Base-Backbone interact. energy: -1.733
local terms energy: -322.638409
where:
bonds (distance) C4'-P energy: -52.039
bonds (distance) P-C4' energy: -64.840
flat angles C4'-P-C4' energy: -70.628
flat angles P-C4'-P energy: -48.637
tors. eta vs tors. theta energy: -86.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1055.211348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.211348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.211348 (E_RNA)
where:
Base-Base interactions energy: -714.103
where: short stacking energy: -314.465
Base-Backbone interact. energy: 0.082
local terms energy: -341.190717
where:
bonds (distance) C4'-P energy: -64.169
bonds (distance) P-C4' energy: -63.464
flat angles C4'-P-C4' energy: -78.983
flat angles P-C4'-P energy: -48.376
tors. eta vs tors. theta energy: -86.199
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: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -960.039813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.039813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.039813 (E_RNA)
where:
Base-Base interactions energy: -644.999
where: short stacking energy: -281.694
Base-Backbone interact. energy: -0.549
local terms energy: -314.680988
where:
bonds (distance) C4'-P energy: -46.261
bonds (distance) P-C4' energy: -64.319
flat angles C4'-P-C4' energy: -69.541
flat angles P-C4'-P energy: -52.196
tors. eta vs tors. theta energy: -82.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.189 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -960.542737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.542737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.542737 (E_RNA)
where:
Base-Base interactions energy: -653.197
where: short stacking energy: -254.997
Base-Backbone interact. energy: -0.874
local terms energy: -306.471052
where:
bonds (distance) C4'-P energy: -63.214
bonds (distance) P-C4' energy: -71.131
flat angles C4'-P-C4' energy: -65.407
flat angles P-C4'-P energy: -44.598
tors. eta vs tors. theta energy: -62.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -905.403286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.403286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.403286 (E_RNA)
where:
Base-Base interactions energy: -606.574
where: short stacking energy: -285.178
Base-Backbone interact. energy: -1.417
local terms energy: -297.412576
where:
bonds (distance) C4'-P energy: -51.700
bonds (distance) P-C4' energy: -54.770
flat angles C4'-P-C4' energy: -67.081
flat angles P-C4'-P energy: -45.855
tors. eta vs tors. theta energy: -78.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -786.279577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.279577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.279577 (E_RNA)
where:
Base-Base interactions energy: -512.017
where: short stacking energy: -224.473
Base-Backbone interact. energy: 0.135
local terms energy: -274.397327
where:
bonds (distance) C4'-P energy: -61.861
bonds (distance) P-C4' energy: -52.861
flat angles C4'-P-C4' energy: -62.446
flat angles P-C4'-P energy: -33.657
tors. eta vs tors. theta energy: -63.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -556.592046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.592046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.592046 (E_RNA)
where:
Base-Base interactions energy: -338.631
where: short stacking energy: -155.763
Base-Backbone interact. energy: -0.704
local terms energy: -217.430422
where:
bonds (distance) C4'-P energy: -51.377
bonds (distance) P-C4' energy: -59.142
flat angles C4'-P-C4' energy: -54.056
flat angles P-C4'-P energy: -20.918
tors. eta vs tors. theta energy: -31.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.174 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -566.894520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.894520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.894520 (E_RNA)
where:
Base-Base interactions energy: -354.668
where: short stacking energy: -153.914
Base-Backbone interact. energy: -1.720
local terms energy: -210.506758
where:
bonds (distance) C4'-P energy: -50.345
bonds (distance) P-C4' energy: -59.908
flat angles C4'-P-C4' energy: -54.347
flat angles P-C4'-P energy: -30.885
tors. eta vs tors. theta energy: -15.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -296.842938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.842938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.842938 (E_RNA)
where:
Base-Base interactions energy: -91.237
where: short stacking energy: -82.846
Base-Backbone interact. energy: -0.511
local terms energy: -205.095175
where:
bonds (distance) C4'-P energy: -56.424
bonds (distance) P-C4' energy: -59.305
flat angles C4'-P-C4' energy: -51.129
flat angles P-C4'-P energy: -26.073
tors. eta vs tors. theta energy: -12.163
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: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -257.106998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.106998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.106998 (E_RNA)
where:
Base-Base interactions energy: -89.299
where: short stacking energy: -65.718
Base-Backbone interact. energy: -0.775
local terms energy: -167.032433
where:
bonds (distance) C4'-P energy: -50.523
bonds (distance) P-C4' energy: -51.125
flat angles C4'-P-C4' energy: -44.410
flat angles P-C4'-P energy: -22.955
tors. eta vs tors. theta energy: 1.980
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: 1, replica: 8
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1069.275783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.275783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.275783 (E_RNA)
where:
Base-Base interactions energy: -735.635
where: short stacking energy: -313.914
Base-Backbone interact. energy: -3.592
local terms energy: -330.048703
where:
bonds (distance) C4'-P energy: -68.013
bonds (distance) P-C4' energy: -63.523
flat angles C4'-P-C4' energy: -70.845
flat angles P-C4'-P energy: -48.238
tors. eta vs tors. theta energy: -79.431
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: 2, replica: 4
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1002.782335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.782335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.782335 (E_RNA)
where:
Base-Base interactions energy: -691.219
where: short stacking energy: -305.452
Base-Backbone interact. energy: -1.807
local terms energy: -309.756891
where:
bonds (distance) C4'-P energy: -56.205
bonds (distance) P-C4' energy: -59.465
flat angles C4'-P-C4' energy: -66.093
flat angles P-C4'-P energy: -39.385
tors. eta vs tors. theta energy: -88.609
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: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -960.130630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.130630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.130630 (E_RNA)
where:
Base-Base interactions energy: -640.375
where: short stacking energy: -276.849
Base-Backbone interact. energy: -1.019
local terms energy: -318.736419
where:
bonds (distance) C4'-P energy: -58.372
bonds (distance) P-C4' energy: -65.173
flat angles C4'-P-C4' energy: -64.597
flat angles P-C4'-P energy: -46.613
tors. eta vs tors. theta energy: -83.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -930.791185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.791185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.791185 (E_RNA)
where:
Base-Base interactions energy: -623.474
where: short stacking energy: -270.215
Base-Backbone interact. energy: -0.965
local terms energy: -306.352217
where:
bonds (distance) C4'-P energy: -57.426
bonds (distance) P-C4' energy: -63.181
flat angles C4'-P-C4' energy: -65.953
flat angles P-C4'-P energy: -49.751
tors. eta vs tors. theta energy: -70.042
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: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -865.119941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.119941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.119941 (E_RNA)
where:
Base-Base interactions energy: -562.558
where: short stacking energy: -253.590
Base-Backbone interact. energy: -1.028
local terms energy: -301.533429
where:
bonds (distance) C4'-P energy: -55.795
bonds (distance) P-C4' energy: -72.105
flat angles C4'-P-C4' energy: -64.273
flat angles P-C4'-P energy: -38.866
tors. eta vs tors. theta energy: -70.495
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: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -813.510541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.510541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.510541 (E_RNA)
where:
Base-Base interactions energy: -523.409
where: short stacking energy: -231.862
Base-Backbone interact. energy: -1.111
local terms energy: -288.990272
where:
bonds (distance) C4'-P energy: -64.680
bonds (distance) P-C4' energy: -62.322
flat angles C4'-P-C4' energy: -62.170
flat angles P-C4'-P energy: -33.854
tors. eta vs tors. theta energy: -65.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -578.490128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.490128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.490128 (E_RNA)
where:
Base-Base interactions energy: -327.643
where: short stacking energy: -179.760
Base-Backbone interact. energy: 1.627
local terms energy: -252.474331
where:
bonds (distance) C4'-P energy: -64.352
bonds (distance) P-C4' energy: -61.025
flat angles C4'-P-C4' energy: -60.933
flat angles P-C4'-P energy: -37.709
tors. eta vs tors. theta energy: -28.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -586.892623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.892623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.892623 (E_RNA)
where:
Base-Base interactions energy: -359.553
where: short stacking energy: -164.208
Base-Backbone interact. energy: -1.379
local terms energy: -225.961305
where:
bonds (distance) C4'-P energy: -51.424
bonds (distance) P-C4' energy: -59.258
flat angles C4'-P-C4' energy: -59.183
flat angles P-C4'-P energy: -38.292
tors. eta vs tors. theta energy: -17.804
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: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -294.252299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.252299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.252299 (E_RNA)
where:
Base-Base interactions energy: -95.620
where: short stacking energy: -90.910
Base-Backbone interact. energy: 4.065
local terms energy: -202.697008
where:
bonds (distance) C4'-P energy: -56.131
bonds (distance) P-C4' energy: -63.792
flat angles C4'-P-C4' energy: -47.863
flat angles P-C4'-P energy: -41.842
tors. eta vs tors. theta energy: 6.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -286.691376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.691376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.691376 (E_RNA)
where:
Base-Base interactions energy: -108.270
where: short stacking energy: -96.145
Base-Backbone interact. energy: -1.085
local terms energy: -177.394767
where:
bonds (distance) C4'-P energy: -51.987
bonds (distance) P-C4' energy: -49.692
flat angles C4'-P-C4' energy: -55.515
flat angles P-C4'-P energy: -29.570
tors. eta vs tors. theta energy: 9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.058 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1076.845353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.845353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.845353 (E_RNA)
where:
Base-Base interactions energy: -740.400
where: short stacking energy: -299.712
Base-Backbone interact. energy: -2.433
local terms energy: -334.011806
where:
bonds (distance) C4'-P energy: -59.545
bonds (distance) P-C4' energy: -68.536
flat angles C4'-P-C4' energy: -68.719
flat angles P-C4'-P energy: -50.401
tors. eta vs tors. theta energy: -86.810
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: 2, replica: 4
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1029.836329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.836329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.836329 (E_RNA)
where:
Base-Base interactions energy: -692.175
where: short stacking energy: -304.034
Base-Backbone interact. energy: 0.719
local terms energy: -338.379417
where:
bonds (distance) C4'-P energy: -63.820
bonds (distance) P-C4' energy: -63.278
flat angles C4'-P-C4' energy: -74.398
flat angles P-C4'-P energy: -48.119
tors. eta vs tors. theta energy: -88.765
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: 9
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -972.474019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.474019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.474019 (E_RNA)
where:
Base-Base interactions energy: -672.629
where: short stacking energy: -263.375
Base-Backbone interact. energy: -2.735
local terms energy: -297.109536
where:
bonds (distance) C4'-P energy: -53.427
bonds (distance) P-C4' energy: -69.198
flat angles C4'-P-C4' energy: -59.798
flat angles P-C4'-P energy: -48.099
tors. eta vs tors. theta energy: -66.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -925.784862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.784862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.784862 (E_RNA)
where:
Base-Base interactions energy: -603.420
where: short stacking energy: -303.915
Base-Backbone interact. energy: -0.359
local terms energy: -322.006079
where:
bonds (distance) C4'-P energy: -59.759
bonds (distance) P-C4' energy: -57.969
flat angles C4'-P-C4' energy: -65.787
flat angles P-C4'-P energy: -48.537
tors. eta vs tors. theta energy: -89.954
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: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -864.105314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.105314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.105314 (E_RNA)
where:
Base-Base interactions energy: -551.096
where: short stacking energy: -238.249
Base-Backbone interact. energy: -0.659
local terms energy: -312.350735
where:
bonds (distance) C4'-P energy: -56.050
bonds (distance) P-C4' energy: -75.484
flat angles C4'-P-C4' energy: -65.968
flat angles P-C4'-P energy: -44.881
tors. eta vs tors. theta energy: -69.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -789.071042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.071042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.071042 (E_RNA)
where:
Base-Base interactions energy: -503.312
where: short stacking energy: -226.379
Base-Backbone interact. energy: -1.110
local terms energy: -284.649060
where:
bonds (distance) C4'-P energy: -69.522
bonds (distance) P-C4' energy: -53.102
flat angles C4'-P-C4' energy: -56.676
flat angles P-C4'-P energy: -42.862
tors. eta vs tors. theta energy: -62.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -594.128364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.128364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.128364 (E_RNA)
where:
Base-Base interactions energy: -366.259
where: short stacking energy: -160.746
Base-Backbone interact. energy: -1.573
local terms energy: -226.296242
where:
bonds (distance) C4'-P energy: -50.615
bonds (distance) P-C4' energy: -48.200
flat angles C4'-P-C4' energy: -52.270
flat angles P-C4'-P energy: -48.054
tors. eta vs tors. theta energy: -27.156
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: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -529.885073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.885073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.885073 (E_RNA)
where:
Base-Base interactions energy: -302.015
where: short stacking energy: -170.462
Base-Backbone interact. energy: 0.917
local terms energy: -228.787397
where:
bonds (distance) C4'-P energy: -54.657
bonds (distance) P-C4' energy: -62.957
flat angles C4'-P-C4' energy: -51.673
flat angles P-C4'-P energy: -28.206
tors. eta vs tors. theta energy: -31.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -280.912015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.912015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.912015 (E_RNA)
where:
Base-Base interactions energy: -86.250
where: short stacking energy: -82.608
Base-Backbone interact. energy: 1.048
local terms energy: -197.669585
where:
bonds (distance) C4'-P energy: -51.149
bonds (distance) P-C4' energy: -63.037
flat angles C4'-P-C4' energy: -47.295
flat angles P-C4'-P energy: -32.006
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.960 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -256.714404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.714404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.714404 (E_RNA)
where:
Base-Base interactions energy: -86.187
where: short stacking energy: -63.150
Base-Backbone interact. energy: -0.635
local terms energy: -169.892677
where:
bonds (distance) C4'-P energy: -51.689
bonds (distance) P-C4' energy: -59.268
flat angles C4'-P-C4' energy: -36.108
flat angles P-C4'-P energy: -32.503
tors. eta vs tors. theta energy: 9.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1066.762315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.762315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.762315 (E_RNA)
where:
Base-Base interactions energy: -739.616
where: short stacking energy: -315.250
Base-Backbone interact. energy: -3.254
local terms energy: -323.891549
where:
bonds (distance) C4'-P energy: -62.993
bonds (distance) P-C4' energy: -67.262
flat angles C4'-P-C4' energy: -65.868
flat angles P-C4'-P energy: -45.875
tors. eta vs tors. theta energy: -81.893
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: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1015.056609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.056609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.056609 (E_RNA)
where:
Base-Base interactions energy: -705.110
where: short stacking energy: -303.501
Base-Backbone interact. energy: -2.848
local terms energy: -307.099086
where:
bonds (distance) C4'-P energy: -62.294
bonds (distance) P-C4' energy: -61.991
flat angles C4'-P-C4' energy: -63.962
flat angles P-C4'-P energy: -36.152
tors. eta vs tors. theta energy: -82.700
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: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -945.556397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.556397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.556397 (E_RNA)
where:
Base-Base interactions energy: -662.897
where: short stacking energy: -254.976
Base-Backbone interact. energy: -2.464
local terms energy: -280.195383
where:
bonds (distance) C4'-P energy: -62.605
bonds (distance) P-C4' energy: -50.461
flat angles C4'-P-C4' energy: -62.053
flat angles P-C4'-P energy: -32.311
tors. eta vs tors. theta energy: -72.765
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: 341
Temperature: 1.050000
Total energy: -923.535644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.535644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.535644 (E_RNA)
where:
Base-Base interactions energy: -604.156
where: short stacking energy: -262.447
Base-Backbone interact. energy: 1.223
local terms energy: -320.602586
where:
bonds (distance) C4'-P energy: -64.043
bonds (distance) P-C4' energy: -64.690
flat angles C4'-P-C4' energy: -64.725
flat angles P-C4'-P energy: -49.987
tors. eta vs tors. theta energy: -77.157
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: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -837.062237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.062237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.062237 (E_RNA)
where:
Base-Base interactions energy: -551.170
where: short stacking energy: -241.425
Base-Backbone interact. energy: -1.165
local terms energy: -284.726701
where:
bonds (distance) C4'-P energy: -60.138
bonds (distance) P-C4' energy: -57.744
flat angles C4'-P-C4' energy: -65.973
flat angles P-C4'-P energy: -35.928
tors. eta vs tors. theta energy: -64.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -803.485828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.485828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.485828 (E_RNA)
where:
Base-Base interactions energy: -511.256
where: short stacking energy: -248.412
Base-Backbone interact. energy: 0.335
local terms energy: -292.565518
where:
bonds (distance) C4'-P energy: -56.618
bonds (distance) P-C4' energy: -63.543
flat angles C4'-P-C4' energy: -71.330
flat angles P-C4'-P energy: -36.497
tors. eta vs tors. theta energy: -64.578
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: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -599.601680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.601680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.601680 (E_RNA)
where:
Base-Base interactions energy: -352.526
where: short stacking energy: -157.006
Base-Backbone interact. energy: -2.248
local terms energy: -244.827387
where:
bonds (distance) C4'-P energy: -62.527
bonds (distance) P-C4' energy: -57.459
flat angles C4'-P-C4' energy: -61.670
flat angles P-C4'-P energy: -32.693
tors. eta vs tors. theta energy: -30.480
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: 6
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -523.499252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.499252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.499252 (E_RNA)
where:
Base-Base interactions energy: -297.163
where: short stacking energy: -151.237
Base-Backbone interact. energy: -0.630
local terms energy: -225.706279
where:
bonds (distance) C4'-P energy: -61.220
bonds (distance) P-C4' energy: -64.428
flat angles C4'-P-C4' energy: -52.446
flat angles P-C4'-P energy: -26.662
tors. eta vs tors. theta energy: -20.950
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: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -310.857085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.857085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.857085 (E_RNA)
where:
Base-Base interactions energy: -126.458
where: short stacking energy: -117.447
Base-Backbone interact. energy: -1.520
local terms energy: -182.878444
where:
bonds (distance) C4'-P energy: -47.965
bonds (distance) P-C4' energy: -58.772
flat angles C4'-P-C4' energy: -64.000
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: 4.517
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: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -266.781391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.781391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.781391 (E_RNA)
where:
Base-Base interactions energy: -104.640
where: short stacking energy: -83.170
Base-Backbone interact. energy: 0.458
local terms energy: -162.598664
where:
bonds (distance) C4'-P energy: -52.782
bonds (distance) P-C4' energy: -58.626
flat angles C4'-P-C4' energy: -40.360
flat angles P-C4'-P energy: -26.213
tors. eta vs tors. theta energy: 15.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1071.479818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.479818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.479818 (E_RNA)
where:
Base-Base interactions energy: -727.296
where: short stacking energy: -319.508
Base-Backbone interact. energy: -0.881
local terms energy: -343.302302
where:
bonds (distance) C4'-P energy: -63.293
bonds (distance) P-C4' energy: -65.438
flat angles C4'-P-C4' energy: -77.482
flat angles P-C4'-P energy: -53.742
tors. eta vs tors. theta energy: -83.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1017.247887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.247887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.247887 (E_RNA)
where:
Base-Base interactions energy: -675.728
where: short stacking energy: -291.625
Base-Backbone interact. energy: -2.562
local terms energy: -338.957897
where:
bonds (distance) C4'-P energy: -65.195
bonds (distance) P-C4' energy: -68.932
flat angles C4'-P-C4' energy: -75.081
flat angles P-C4'-P energy: -51.133
tors. eta vs tors. theta energy: -78.618
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: 3, replica: 9
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -954.027655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.027655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.027655 (E_RNA)
where:
Base-Base interactions energy: -639.545
where: short stacking energy: -249.559
Base-Backbone interact. energy: -2.357
local terms energy: -312.124972
where:
bonds (distance) C4'-P energy: -63.488
bonds (distance) P-C4' energy: -59.148
flat angles C4'-P-C4' energy: -70.315
flat angles P-C4'-P energy: -47.820
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: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -923.548792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.548792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.548792 (E_RNA)
where:
Base-Base interactions energy: -613.374
where: short stacking energy: -278.436
Base-Backbone interact. energy: -2.242
local terms energy: -307.932065
where:
bonds (distance) C4'-P energy: -65.381
bonds (distance) P-C4' energy: -60.265
flat angles C4'-P-C4' energy: -69.718
flat angles P-C4'-P energy: -47.106
tors. eta vs tors. theta energy: -65.461
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: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -854.691235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.691235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.691235 (E_RNA)
where:
Base-Base interactions energy: -573.406
where: short stacking energy: -247.035
Base-Backbone interact. energy: -0.499
local terms energy: -280.786059
where:
bonds (distance) C4'-P energy: -51.692
bonds (distance) P-C4' energy: -60.194
flat angles C4'-P-C4' energy: -64.918
flat angles P-C4'-P energy: -40.336
tors. eta vs tors. theta energy: -63.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -801.029092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.029092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.029092 (E_RNA)
where:
Base-Base interactions energy: -518.479
where: short stacking energy: -237.451
Base-Backbone interact. energy: 0.223
local terms energy: -282.772584
where:
bonds (distance) C4'-P energy: -54.373
bonds (distance) P-C4' energy: -60.195
flat angles C4'-P-C4' energy: -60.522
flat angles P-C4'-P energy: -48.126
tors. eta vs tors. theta energy: -59.557
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: 7, replica: 1
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -579.121674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.121674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.121674 (E_RNA)
where:
Base-Base interactions energy: -359.800
where: short stacking energy: -168.961
Base-Backbone interact. energy: 2.751
local terms energy: -222.073307
where:
bonds (distance) C4'-P energy: -64.287
bonds (distance) P-C4' energy: -50.830
flat angles C4'-P-C4' energy: -43.051
flat angles P-C4'-P energy: -42.632
tors. eta vs tors. theta energy: -21.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -536.407865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.407865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.407865 (E_RNA)
where:
Base-Base interactions energy: -291.203
where: short stacking energy: -145.873
Base-Backbone interact. energy: 0.293
local terms energy: -245.497397
where:
bonds (distance) C4'-P energy: -65.252
bonds (distance) P-C4' energy: -61.324
flat angles C4'-P-C4' energy: -57.790
flat angles P-C4'-P energy: -41.662
tors. eta vs tors. theta energy: -19.469
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: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -292.867387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.867387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.867387 (E_RNA)
where:
Base-Base interactions energy: -108.015
where: short stacking energy: -85.692
Base-Backbone interact. energy: 0.266
local terms energy: -185.118279
where:
bonds (distance) C4'-P energy: -48.861
bonds (distance) P-C4' energy: -61.616
flat angles C4'-P-C4' energy: -61.841
flat angles P-C4'-P energy: -22.809
tors. eta vs tors. theta energy: 10.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -280.163718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.163718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.163718 (E_RNA)
where:
Base-Base interactions energy: -105.509
where: short stacking energy: -82.884
Base-Backbone interact. energy: 4.008
local terms energy: -179.494736
where:
bonds (distance) C4'-P energy: -54.791
bonds (distance) P-C4' energy: -61.818
flat angles C4'-P-C4' energy: -51.553
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.833 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1064.018425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.018425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.018425 (E_RNA)
where:
Base-Base interactions energy: -730.689
where: short stacking energy: -314.284
Base-Backbone interact. energy: 0.535
local terms energy: -333.864135
where:
bonds (distance) C4'-P energy: -68.545
bonds (distance) P-C4' energy: -67.986
flat angles C4'-P-C4' energy: -66.776
flat angles P-C4'-P energy: -48.763
tors. eta vs tors. theta energy: -81.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1038.182606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.182606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.182606 (E_RNA)
where:
Base-Base interactions energy: -721.186
where: short stacking energy: -310.782
Base-Backbone interact. energy: -2.503
local terms energy: -314.493826
where:
bonds (distance) C4'-P energy: -51.181
bonds (distance) P-C4' energy: -57.336
flat angles C4'-P-C4' energy: -66.384
flat angles P-C4'-P energy: -47.207
tors. eta vs tors. theta energy: -92.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -962.699978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.699978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.699978 (E_RNA)
where:
Base-Base interactions energy: -645.846
where: short stacking energy: -288.372
Base-Backbone interact. energy: -2.813
local terms energy: -314.041312
where:
bonds (distance) C4'-P energy: -65.629
bonds (distance) P-C4' energy: -58.436
flat angles C4'-P-C4' energy: -66.997
flat angles P-C4'-P energy: -39.656
tors. eta vs tors. theta energy: -83.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -929.304860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.304860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.304860 (E_RNA)
where:
Base-Base interactions energy: -625.363
where: short stacking energy: -280.122
Base-Backbone interact. energy: -1.051
local terms energy: -302.891339
where:
bonds (distance) C4'-P energy: -52.235
bonds (distance) P-C4' energy: -56.648
flat angles C4'-P-C4' energy: -69.530
flat angles P-C4'-P energy: -46.109
tors. eta vs tors. theta energy: -78.369
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: 5, replica: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -858.251816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.251816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.251816 (E_RNA)
where:
Base-Base interactions energy: -582.856
where: short stacking energy: -258.608
Base-Backbone interact. energy: -0.988
local terms energy: -274.407191
where:
bonds (distance) C4'-P energy: -49.692
bonds (distance) P-C4' energy: -62.107
flat angles C4'-P-C4' energy: -61.365
flat angles P-C4'-P energy: -38.423
tors. eta vs tors. theta energy: -62.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -768.318958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.318958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.318958 (E_RNA)
where:
Base-Base interactions energy: -493.395
where: short stacking energy: -227.698
Base-Backbone interact. energy: -2.331
local terms energy: -272.592935
where:
bonds (distance) C4'-P energy: -53.062
bonds (distance) P-C4' energy: -60.427
flat angles C4'-P-C4' energy: -59.349
flat angles P-C4'-P energy: -39.443
tors. eta vs tors. theta energy: -60.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -595.532667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.532667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.532667 (E_RNA)
where:
Base-Base interactions energy: -350.185
where: short stacking energy: -168.230
Base-Backbone interact. energy: -1.645
local terms energy: -243.702939
where:
bonds (distance) C4'-P energy: -58.853
bonds (distance) P-C4' energy: -72.688
flat angles C4'-P-C4' energy: -57.015
flat angles P-C4'-P energy: -33.621
tors. eta vs tors. theta energy: -21.526
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: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -547.088910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.088910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.088910 (E_RNA)
where:
Base-Base interactions energy: -364.745
where: short stacking energy: -144.557
Base-Backbone interact. energy: -2.161
local terms energy: -180.182876
where:
bonds (distance) C4'-P energy: -41.638
bonds (distance) P-C4' energy: -55.118
flat angles C4'-P-C4' energy: -38.920
flat angles P-C4'-P energy: -32.295
tors. eta vs tors. theta energy: -12.212
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: 3
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -315.289071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.289071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.289071 (E_RNA)
where:
Base-Base interactions energy: -127.410
where: short stacking energy: -90.416
Base-Backbone interact. energy: 3.168
local terms energy: -191.046511
where:
bonds (distance) C4'-P energy: -58.075
bonds (distance) P-C4' energy: -50.668
flat angles C4'-P-C4' energy: -53.444
flat angles P-C4'-P energy: -32.723
tors. eta vs tors. theta energy: 3.862
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: 343
Temperature: 1.350000
Total energy: -257.069665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.069665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.069665 (E_RNA)
where:
Base-Base interactions energy: -80.954
where: short stacking energy: -75.732
Base-Backbone interact. energy: -1.269
local terms energy: -174.846101
where:
bonds (distance) C4'-P energy: -47.366
bonds (distance) P-C4' energy: -58.704
flat angles C4'-P-C4' energy: -51.754
flat angles P-C4'-P energy: -33.435
tors. eta vs tors. theta energy: 16.413
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: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1066.296377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.296377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.296377 (E_RNA)
where:
Base-Base interactions energy: -715.638
where: short stacking energy: -307.892
Base-Backbone interact. energy: -2.348
local terms energy: -348.309962
where:
bonds (distance) C4'-P energy: -68.710
bonds (distance) P-C4' energy: -72.611
flat angles C4'-P-C4' energy: -68.478
flat angles P-C4'-P energy: -52.625
tors. eta vs tors. theta energy: -85.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1046.217294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.217294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.217294 (E_RNA)
where:
Base-Base interactions energy: -697.329
where: short stacking energy: -293.967
Base-Backbone interact. energy: -1.160
local terms energy: -347.728613
where:
bonds (distance) C4'-P energy: -69.472
bonds (distance) P-C4' energy: -59.944
flat angles C4'-P-C4' energy: -71.499
flat angles P-C4'-P energy: -55.484
tors. eta vs tors. theta energy: -91.329
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: 3, replica: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -952.062501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.062501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.062501 (E_RNA)
where:
Base-Base interactions energy: -630.659
where: short stacking energy: -281.667
Base-Backbone interact. energy: -1.182
local terms energy: -321.714992
where:
bonds (distance) C4'-P energy: -67.330
bonds (distance) P-C4' energy: -56.055
flat angles C4'-P-C4' energy: -69.844
flat angles P-C4'-P energy: -51.153
tors. eta vs tors. theta energy: -77.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.494 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -939.653654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.653654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.653654 (E_RNA)
where:
Base-Base interactions energy: -624.558
where: short stacking energy: -271.395
Base-Backbone interact. energy: 0.501
local terms energy: -315.595777
where:
bonds (distance) C4'-P energy: -69.348
bonds (distance) P-C4' energy: -50.781
flat angles C4'-P-C4' energy: -72.501
flat angles P-C4'-P energy: -44.048
tors. eta vs tors. theta energy: -78.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -889.341706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.341706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.341706 (E_RNA)
where:
Base-Base interactions energy: -578.857
where: short stacking energy: -255.153
Base-Backbone interact. energy: -0.188
local terms energy: -310.296960
where:
bonds (distance) C4'-P energy: -61.895
bonds (distance) P-C4' energy: -57.220
flat angles C4'-P-C4' energy: -73.799
flat angles P-C4'-P energy: -48.692
tors. eta vs tors. theta energy: -68.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -732.946898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.946898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.946898 (E_RNA)
where:
Base-Base interactions energy: -467.966
where: short stacking energy: -224.575
Base-Backbone interact. energy: 0.347
local terms energy: -265.327961
where:
bonds (distance) C4'-P energy: -51.701
bonds (distance) P-C4' energy: -59.897
flat angles C4'-P-C4' energy: -65.296
flat angles P-C4'-P energy: -41.024
tors. eta vs tors. theta energy: -47.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -598.313733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.313733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.313733 (E_RNA)
where:
Base-Base interactions energy: -375.936
where: short stacking energy: -169.114
Base-Backbone interact. energy: -0.698
local terms energy: -221.679122
where:
bonds (distance) C4'-P energy: -56.123
bonds (distance) P-C4' energy: -57.290
flat angles C4'-P-C4' energy: -46.362
flat angles P-C4'-P energy: -30.332
tors. eta vs tors. theta energy: -31.573
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: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -563.195125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.195125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.195125 (E_RNA)
where:
Base-Base interactions energy: -339.833
where: short stacking energy: -161.124
Base-Backbone interact. energy: -1.497
local terms energy: -221.865470
where:
bonds (distance) C4'-P energy: -52.656
bonds (distance) P-C4' energy: -61.393
flat angles C4'-P-C4' energy: -43.069
flat angles P-C4'-P energy: -36.708
tors. eta vs tors. theta energy: -28.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -348.775491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.775491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.775491 (E_RNA)
where:
Base-Base interactions energy: -170.944
where: short stacking energy: -117.848
Base-Backbone interact. energy: 3.875
local terms energy: -181.706452
where:
bonds (distance) C4'-P energy: -57.735
bonds (distance) P-C4' energy: -55.375
flat angles C4'-P-C4' energy: -30.482
flat angles P-C4'-P energy: -29.859
tors. eta vs tors. theta energy: -8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -290.584150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.584150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.584150 (E_RNA)
where:
Base-Base interactions energy: -119.589
where: short stacking energy: -91.004
Base-Backbone interact. energy: 2.199
local terms energy: -173.193445
where:
bonds (distance) C4'-P energy: -47.080
bonds (distance) P-C4' energy: -48.930
flat angles C4'-P-C4' energy: -54.707
flat angles P-C4'-P energy: -23.345
tors. eta vs tors. theta energy: 0.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1050.275606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.275606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.275606 (E_RNA)
where:
Base-Base interactions energy: -716.789
where: short stacking energy: -312.503
Base-Backbone interact. energy: -2.044
local terms energy: -331.443030
where:
bonds (distance) C4'-P energy: -71.062
bonds (distance) P-C4' energy: -61.266
flat angles C4'-P-C4' energy: -71.862
flat angles P-C4'-P energy: -46.242
tors. eta vs tors. theta energy: -81.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1041.325108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.325108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.325108 (E_RNA)
where:
Base-Base interactions energy: -719.024
where: short stacking energy: -322.922
Base-Backbone interact. energy: 2.067
local terms energy: -324.367271
where:
bonds (distance) C4'-P energy: -60.724
bonds (distance) P-C4' energy: -54.849
flat angles C4'-P-C4' energy: -72.108
flat angles P-C4'-P energy: -44.959
tors. eta vs tors. theta energy: -91.727
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: 10
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -959.936067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.936067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.936067 (E_RNA)
where:
Base-Base interactions energy: -626.682
where: short stacking energy: -292.259
Base-Backbone interact. energy: -1.483
local terms energy: -331.771383
where:
bonds (distance) C4'-P energy: -59.812
bonds (distance) P-C4' energy: -69.415
flat angles C4'-P-C4' energy: -71.041
flat angles P-C4'-P energy: -49.237
tors. eta vs tors. theta energy: -82.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -906.351511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.351511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.351511 (E_RNA)
where:
Base-Base interactions energy: -607.431
where: short stacking energy: -241.991
Base-Backbone interact. energy: 2.552
local terms energy: -301.472306
where:
bonds (distance) C4'-P energy: -58.954
bonds (distance) P-C4' energy: -66.639
flat angles C4'-P-C4' energy: -66.644
flat angles P-C4'-P energy: -46.460
tors. eta vs tors. theta energy: -62.775
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: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -890.117730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.117730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.117730 (E_RNA)
where:
Base-Base interactions energy: -592.169
where: short stacking energy: -271.009
Base-Backbone interact. energy: -1.979
local terms energy: -295.969492
where:
bonds (distance) C4'-P energy: -56.055
bonds (distance) P-C4' energy: -62.287
flat angles C4'-P-C4' energy: -62.923
flat angles P-C4'-P energy: -41.688
tors. eta vs tors. theta energy: -73.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -740.460742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.460742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.460742 (E_RNA)
where:
Base-Base interactions energy: -473.597
where: short stacking energy: -210.331
Base-Backbone interact. energy: -3.756
local terms energy: -263.107567
where:
bonds (distance) C4'-P energy: -55.433
bonds (distance) P-C4' energy: -63.614
flat angles C4'-P-C4' energy: -64.673
flat angles P-C4'-P energy: -34.253
tors. eta vs tors. theta energy: -45.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -608.460297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.460297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.460297 (E_RNA)
where:
Base-Base interactions energy: -386.138
where: short stacking energy: -189.918
Base-Backbone interact. energy: -1.181
local terms energy: -221.141175
where:
bonds (distance) C4'-P energy: -44.850
bonds (distance) P-C4' energy: -47.117
flat angles C4'-P-C4' energy: -57.686
flat angles P-C4'-P energy: -33.900
tors. eta vs tors. theta energy: -37.588
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: 8, replica: 1
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -561.153015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.153015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.153015 (E_RNA)
where:
Base-Base interactions energy: -335.721
where: short stacking energy: -144.864
Base-Backbone interact. energy: 4.421
local terms energy: -229.853819
where:
bonds (distance) C4'-P energy: -58.862
bonds (distance) P-C4' energy: -65.743
flat angles C4'-P-C4' energy: -49.331
flat angles P-C4'-P energy: -30.627
tors. eta vs tors. theta energy: -25.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -298.066773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.066773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.066773 (E_RNA)
where:
Base-Base interactions energy: -96.430
where: short stacking energy: -70.866
Base-Backbone interact. energy: -1.158
local terms energy: -200.478641
where:
bonds (distance) C4'-P energy: -48.290
bonds (distance) P-C4' energy: -60.077
flat angles C4'-P-C4' energy: -49.894
flat angles P-C4'-P energy: -36.245
tors. eta vs tors. theta energy: -5.973
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: 345
Temperature: 1.350000
Total energy: -278.191331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.191331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.191331 (E_RNA)
where:
Base-Base interactions energy: -92.175
where: short stacking energy: -76.984
Base-Backbone interact. energy: -0.873
local terms energy: -185.143543
where:
bonds (distance) C4'-P energy: -52.465
bonds (distance) P-C4' energy: -50.792
flat angles C4'-P-C4' energy: -56.336
flat angles P-C4'-P energy: -28.584
tors. eta vs tors. theta energy: 3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1073.547889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.547889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.547889 (E_RNA)
where:
Base-Base interactions energy: -717.618
where: short stacking energy: -332.412
Base-Backbone interact. energy: -0.957
local terms energy: -354.972790
where:
bonds (distance) C4'-P energy: -66.234
bonds (distance) P-C4' energy: -64.951
flat angles C4'-P-C4' energy: -75.881
flat angles P-C4'-P energy: -52.472
tors. eta vs tors. theta energy: -95.434
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: 2, replica: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1040.661784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.661784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.661784 (E_RNA)
where:
Base-Base interactions energy: -719.088
where: short stacking energy: -298.181
Base-Backbone interact. energy: -2.418
local terms energy: -319.155640
where:
bonds (distance) C4'-P energy: -62.451
bonds (distance) P-C4' energy: -56.032
flat angles C4'-P-C4' energy: -72.455
flat angles P-C4'-P energy: -49.954
tors. eta vs tors. theta energy: -78.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -959.459041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.459041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.459041 (E_RNA)
where:
Base-Base interactions energy: -639.697
where: short stacking energy: -297.144
Base-Backbone interact. energy: 0.469
local terms energy: -320.231679
where:
bonds (distance) C4'-P energy: -63.931
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -62.861
flat angles P-C4'-P energy: -46.278
tors. eta vs tors. theta energy: -91.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -897.005575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.005575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.005575 (E_RNA)
where:
Base-Base interactions energy: -611.250
where: short stacking energy: -255.320
Base-Backbone interact. energy: -0.682
local terms energy: -285.073293
where:
bonds (distance) C4'-P energy: -58.107
bonds (distance) P-C4' energy: -56.724
flat angles C4'-P-C4' energy: -63.656
flat angles P-C4'-P energy: -46.205
tors. eta vs tors. theta energy: -60.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -884.731222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.731222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.731222 (E_RNA)
where:
Base-Base interactions energy: -602.021
where: short stacking energy: -267.315
Base-Backbone interact. energy: 3.525
local terms energy: -286.235866
where:
bonds (distance) C4'-P energy: -63.541
bonds (distance) P-C4' energy: -51.065
flat angles C4'-P-C4' energy: -70.285
flat angles P-C4'-P energy: -32.329
tors. eta vs tors. theta energy: -69.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -781.197966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.197966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.197966 (E_RNA)
where:
Base-Base interactions energy: -519.687
where: short stacking energy: -234.450
Base-Backbone interact. energy: 2.060
local terms energy: -263.571105
where:
bonds (distance) C4'-P energy: -64.728
bonds (distance) P-C4' energy: -57.160
flat angles C4'-P-C4' energy: -58.403
flat angles P-C4'-P energy: -29.850
tors. eta vs tors. theta energy: -53.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -580.981336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.981336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.981336 (E_RNA)
where:
Base-Base interactions energy: -345.679
where: short stacking energy: -157.573
Base-Backbone interact. energy: -0.827
local terms energy: -234.475840
where:
bonds (distance) C4'-P energy: -64.079
bonds (distance) P-C4' energy: -53.607
flat angles C4'-P-C4' energy: -63.233
flat angles P-C4'-P energy: -24.492
tors. eta vs tors. theta energy: -29.065
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: 6
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -529.050804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.050804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.050804 (E_RNA)
where:
Base-Base interactions energy: -310.970
where: short stacking energy: -138.830
Base-Backbone interact. energy: 3.419
local terms energy: -221.500618
where:
bonds (distance) C4'-P energy: -48.715
bonds (distance) P-C4' energy: -63.616
flat angles C4'-P-C4' energy: -52.436
flat angles P-C4'-P energy: -34.502
tors. eta vs tors. theta energy: -22.232
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: 346
Temperature: 1.300000
Total energy: -301.829065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.829065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.829065 (E_RNA)
where:
Base-Base interactions energy: -139.078
where: short stacking energy: -101.952
Base-Backbone interact. energy: 1.388
local terms energy: -164.139412
where:
bonds (distance) C4'-P energy: -48.624
bonds (distance) P-C4' energy: -50.232
flat angles C4'-P-C4' energy: -41.505
flat angles P-C4'-P energy: -32.742
tors. eta vs tors. theta energy: 8.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -261.574098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.574098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.574098 (E_RNA)
where:
Base-Base interactions energy: -89.310
where: short stacking energy: -67.320
Base-Backbone interact. energy: 4.288
local terms energy: -176.551298
where:
bonds (distance) C4'-P energy: -64.014
bonds (distance) P-C4' energy: -50.637
flat angles C4'-P-C4' energy: -41.307
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: 2.866
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: 1, replica: 4
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1054.684623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.684623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.684623 (E_RNA)
where:
Base-Base interactions energy: -710.101
where: short stacking energy: -328.373
Base-Backbone interact. energy: -0.103
local terms energy: -344.481429
where:
bonds (distance) C4'-P energy: -65.010
bonds (distance) P-C4' energy: -59.988
flat angles C4'-P-C4' energy: -68.975
flat angles P-C4'-P energy: -52.841
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: 2, replica: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1047.302732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.302732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.302732 (E_RNA)
where:
Base-Base interactions energy: -718.834
where: short stacking energy: -290.389
Base-Backbone interact. energy: -3.477
local terms energy: -324.991886
where:
bonds (distance) C4'-P energy: -67.962
bonds (distance) P-C4' energy: -65.002
flat angles C4'-P-C4' energy: -64.905
flat angles P-C4'-P energy: -42.398
tors. eta vs tors. theta energy: -84.724
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: 10
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -971.146385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.146385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.146385 (E_RNA)
where:
Base-Base interactions energy: -658.330
where: short stacking energy: -276.353
Base-Backbone interact. energy: -0.893
local terms energy: -311.923486
where:
bonds (distance) C4'-P energy: -67.225
bonds (distance) P-C4' energy: -61.306
flat angles C4'-P-C4' energy: -65.004
flat angles P-C4'-P energy: -38.143
tors. eta vs tors. theta energy: -80.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -901.510536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.510536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.510536 (E_RNA)
where:
Base-Base interactions energy: -593.412
where: short stacking energy: -245.963
Base-Backbone interact. energy: -0.747
local terms energy: -307.351861
where:
bonds (distance) C4'-P energy: -58.632
bonds (distance) P-C4' energy: -64.768
flat angles C4'-P-C4' energy: -66.579
flat angles P-C4'-P energy: -42.111
tors. eta vs tors. theta energy: -75.261
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: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -879.569479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.569479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.569479 (E_RNA)
where:
Base-Base interactions energy: -580.808
where: short stacking energy: -235.676
Base-Backbone interact. energy: -1.749
local terms energy: -297.012233
where:
bonds (distance) C4'-P energy: -60.452
bonds (distance) P-C4' energy: -65.222
flat angles C4'-P-C4' energy: -69.130
flat angles P-C4'-P energy: -48.610
tors. eta vs tors. theta energy: -53.599
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: 2
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -749.212304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.212304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.212304 (E_RNA)
where:
Base-Base interactions energy: -479.341
where: short stacking energy: -220.422
Base-Backbone interact. energy: -2.101
local terms energy: -267.770590
where:
bonds (distance) C4'-P energy: -51.071
bonds (distance) P-C4' energy: -66.622
flat angles C4'-P-C4' energy: -61.526
flat angles P-C4'-P energy: -32.556
tors. eta vs tors. theta energy: -55.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -560.345475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.345475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.345475 (E_RNA)
where:
Base-Base interactions energy: -318.526
where: short stacking energy: -155.238
Base-Backbone interact. energy: -1.857
local terms energy: -239.962157
where:
bonds (distance) C4'-P energy: -65.718
bonds (distance) P-C4' energy: -51.967
flat angles C4'-P-C4' energy: -51.789
flat angles P-C4'-P energy: -41.138
tors. eta vs tors. theta energy: -29.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -542.216258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.216258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.216258 (E_RNA)
where:
Base-Base interactions energy: -306.978
where: short stacking energy: -160.352
Base-Backbone interact. energy: -1.099
local terms energy: -234.139480
where:
bonds (distance) C4'-P energy: -66.017
bonds (distance) P-C4' energy: -49.626
flat angles C4'-P-C4' energy: -50.375
flat angles P-C4'-P energy: -41.088
tors. eta vs tors. theta energy: -27.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -349.127727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.127727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.127727 (E_RNA)
where:
Base-Base interactions energy: -158.860
where: short stacking energy: -119.664
Base-Backbone interact. energy: 2.211
local terms energy: -192.478953
where:
bonds (distance) C4'-P energy: -38.105
bonds (distance) P-C4' energy: -52.472
flat angles C4'-P-C4' energy: -51.713
flat angles P-C4'-P energy: -41.411
tors. eta vs tors. theta energy: -8.778
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: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -277.670307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.670307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.670307 (E_RNA)
where:
Base-Base interactions energy: -104.373
where: short stacking energy: -81.870
Base-Backbone interact. energy: 0.176
local terms energy: -173.473821
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -54.075
flat angles C4'-P-C4' energy: -50.442
flat angles P-C4'-P energy: -33.516
tors. eta vs tors. theta energy: 7.694
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: 1, replica: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1063.402249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.402249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.402249 (E_RNA)
where:
Base-Base interactions energy: -736.561
where: short stacking energy: -301.383
Base-Backbone interact. energy: -2.493
local terms energy: -324.348492
where:
bonds (distance) C4'-P energy: -63.811
bonds (distance) P-C4' energy: -57.640
flat angles C4'-P-C4' energy: -75.772
flat angles P-C4'-P energy: -42.449
tors. eta vs tors. theta energy: -84.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1034.136635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.136635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.136635 (E_RNA)
where:
Base-Base interactions energy: -718.548
where: short stacking energy: -305.941
Base-Backbone interact. energy: 1.741
local terms energy: -317.329671
where:
bonds (distance) C4'-P energy: -61.222
bonds (distance) P-C4' energy: -62.518
flat angles C4'-P-C4' energy: -61.103
flat angles P-C4'-P energy: -47.799
tors. eta vs tors. theta energy: -84.688
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: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -963.115041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.115041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.115041 (E_RNA)
where:
Base-Base interactions energy: -624.748
where: short stacking energy: -290.077
Base-Backbone interact. energy: -0.086
local terms energy: -338.280391
where:
bonds (distance) C4'-P energy: -69.372
bonds (distance) P-C4' energy: -77.308
flat angles C4'-P-C4' energy: -66.816
flat angles P-C4'-P energy: -42.015
tors. eta vs tors. theta energy: -82.769
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: 4, replica: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -909.755200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.755200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.755200 (E_RNA)
where:
Base-Base interactions energy: -593.932
where: short stacking energy: -269.753
Base-Backbone interact. energy: -1.177
local terms energy: -314.646517
where:
bonds (distance) C4'-P energy: -63.254
bonds (distance) P-C4' energy: -59.800
flat angles C4'-P-C4' energy: -64.925
flat angles P-C4'-P energy: -51.195
tors. eta vs tors. theta energy: -75.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -871.836750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.836750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.836750 (E_RNA)
where:
Base-Base interactions energy: -592.710
where: short stacking energy: -257.366
Base-Backbone interact. energy: 1.772
local terms energy: -280.899445
where:
bonds (distance) C4'-P energy: -51.803
bonds (distance) P-C4' energy: -61.533
flat angles C4'-P-C4' energy: -65.022
flat angles P-C4'-P energy: -34.692
tors. eta vs tors. theta energy: -67.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -731.550285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.550285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.550285 (E_RNA)
where:
Base-Base interactions energy: -472.099
where: short stacking energy: -213.146
Base-Backbone interact. energy: -1.199
local terms energy: -258.252672
where:
bonds (distance) C4'-P energy: -45.810
bonds (distance) P-C4' energy: -58.264
flat angles C4'-P-C4' energy: -66.491
flat angles P-C4'-P energy: -40.942
tors. eta vs tors. theta energy: -46.746
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: 6
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -559.061464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.061464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.061464 (E_RNA)
where:
Base-Base interactions energy: -295.273
where: short stacking energy: -152.933
Base-Backbone interact. energy: -1.501
local terms energy: -262.288108
where:
bonds (distance) C4'-P energy: -68.841
bonds (distance) P-C4' energy: -58.627
flat angles C4'-P-C4' energy: -62.458
flat angles P-C4'-P energy: -39.983
tors. eta vs tors. theta energy: -32.379
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: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -520.266195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.266195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.266195 (E_RNA)
where:
Base-Base interactions energy: -300.005
where: short stacking energy: -152.734
Base-Backbone interact. energy: -1.030
local terms energy: -219.231558
where:
bonds (distance) C4'-P energy: -69.896
bonds (distance) P-C4' energy: -48.724
flat angles C4'-P-C4' energy: -47.585
flat angles P-C4'-P energy: -25.920
tors. eta vs tors. theta energy: -27.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -340.080691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.080691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.080691 (E_RNA)
where:
Base-Base interactions energy: -142.617
where: short stacking energy: -88.288
Base-Backbone interact. energy: -1.843
local terms energy: -195.621330
where:
bonds (distance) C4'-P energy: -64.535
bonds (distance) P-C4' energy: -61.468
flat angles C4'-P-C4' energy: -53.511
flat angles P-C4'-P energy: -21.879
tors. eta vs tors. theta energy: 5.771
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: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -312.189536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.189536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.189536 (E_RNA)
where:
Base-Base interactions energy: -148.461
where: short stacking energy: -86.620
Base-Backbone interact. energy: 0.328
local terms energy: -164.056687
where:
bonds (distance) C4'-P energy: -44.854
bonds (distance) P-C4' energy: -45.876
flat angles C4'-P-C4' energy: -51.334
flat angles P-C4'-P energy: -37.360
tors. eta vs tors. theta energy: 15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1063.807675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.807675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.807675 (E_RNA)
where:
Base-Base interactions energy: -729.747
where: short stacking energy: -327.496
Base-Backbone interact. energy: -3.279
local terms energy: -330.782243
where:
bonds (distance) C4'-P energy: -66.679
bonds (distance) P-C4' energy: -60.268
flat angles C4'-P-C4' energy: -68.388
flat angles P-C4'-P energy: -45.386
tors. eta vs tors. theta energy: -90.061
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: 4
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1016.382579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.382579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.382579 (E_RNA)
where:
Base-Base interactions energy: -689.548
where: short stacking energy: -298.927
Base-Backbone interact. energy: -1.260
local terms energy: -325.574794
where:
bonds (distance) C4'-P energy: -55.470
bonds (distance) P-C4' energy: -68.127
flat angles C4'-P-C4' energy: -78.999
flat angles P-C4'-P energy: -43.195
tors. eta vs tors. theta energy: -79.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -969.061321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.061321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.061321 (E_RNA)
where:
Base-Base interactions energy: -655.026
where: short stacking energy: -287.466
Base-Backbone interact. energy: -0.023
local terms energy: -314.012853
where:
bonds (distance) C4'-P energy: -64.744
bonds (distance) P-C4' energy: -58.106
flat angles C4'-P-C4' energy: -66.739
flat angles P-C4'-P energy: -46.195
tors. eta vs tors. theta energy: -78.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -905.820253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.820253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.820253 (E_RNA)
where:
Base-Base interactions energy: -608.456
where: short stacking energy: -259.665
Base-Backbone interact. energy: -0.471
local terms energy: -297.991178
where:
bonds (distance) C4'-P energy: -65.974
bonds (distance) P-C4' energy: -62.726
flat angles C4'-P-C4' energy: -65.162
flat angles P-C4'-P energy: -48.425
tors. eta vs tors. theta energy: -55.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.099 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -879.342700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.342700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.342700 (E_RNA)
where:
Base-Base interactions energy: -577.828
where: short stacking energy: -247.893
Base-Backbone interact. energy: -1.056
local terms energy: -300.458575
where:
bonds (distance) C4'-P energy: -55.076
bonds (distance) P-C4' energy: -59.190
flat angles C4'-P-C4' energy: -69.511
flat angles P-C4'-P energy: -40.937
tors. eta vs tors. theta energy: -75.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -729.599670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.599670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.599670 (E_RNA)
where:
Base-Base interactions energy: -469.640
where: short stacking energy: -220.666
Base-Backbone interact. energy: -1.860
local terms energy: -258.099755
where:
bonds (distance) C4'-P energy: -52.690
bonds (distance) P-C4' energy: -53.896
flat angles C4'-P-C4' energy: -55.502
flat angles P-C4'-P energy: -46.331
tors. eta vs tors. theta energy: -49.681
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: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -551.909139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.909139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.909139 (E_RNA)
where:
Base-Base interactions energy: -322.928
where: short stacking energy: -179.144
Base-Backbone interact. energy: 0.655
local terms energy: -229.635889
where:
bonds (distance) C4'-P energy: -50.877
bonds (distance) P-C4' energy: -67.190
flat angles C4'-P-C4' energy: -57.580
flat angles P-C4'-P energy: -25.926
tors. eta vs tors. theta energy: -28.063
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: 1
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -519.186053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.186053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.186053 (E_RNA)
where:
Base-Base interactions energy: -315.328
where: short stacking energy: -165.199
Base-Backbone interact. energy: -1.108
local terms energy: -202.749947
where:
bonds (distance) C4'-P energy: -46.850
bonds (distance) P-C4' energy: -58.273
flat angles C4'-P-C4' energy: -50.711
flat angles P-C4'-P energy: -20.639
tors. eta vs tors. theta energy: -26.277
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: 9, replica: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -306.327500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.327500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.327500 (E_RNA)
where:
Base-Base interactions energy: -118.605
where: short stacking energy: -73.356
Base-Backbone interact. energy: -0.359
local terms energy: -187.363701
where:
bonds (distance) C4'-P energy: -54.127
bonds (distance) P-C4' energy: -57.334
flat angles C4'-P-C4' energy: -49.604
flat angles P-C4'-P energy: -38.186
tors. eta vs tors. theta energy: 11.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -309.275923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.275923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.275923 (E_RNA)
where:
Base-Base interactions energy: -154.601
where: short stacking energy: -67.504
Base-Backbone interact. energy: 3.458
local terms energy: -158.133327
where:
bonds (distance) C4'-P energy: -50.438
bonds (distance) P-C4' energy: -57.650
flat angles C4'-P-C4' energy: -45.147
flat angles P-C4'-P energy: -16.301
tors. eta vs tors. theta energy: 11.402
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: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1069.719988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.719988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.719988 (E_RNA)
where:
Base-Base interactions energy: -720.496
where: short stacking energy: -314.589
Base-Backbone interact. energy: -4.214
local terms energy: -345.009757
where:
bonds (distance) C4'-P energy: -56.307
bonds (distance) P-C4' energy: -66.202
flat angles C4'-P-C4' energy: -80.149
flat angles P-C4'-P energy: -46.583
tors. eta vs tors. theta energy: -95.769
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: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1034.153160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.153160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.153160 (E_RNA)
where:
Base-Base interactions energy: -719.197
where: short stacking energy: -309.305
Base-Backbone interact. energy: -2.965
local terms energy: -311.991460
where:
bonds (distance) C4'-P energy: -60.246
bonds (distance) P-C4' energy: -65.740
flat angles C4'-P-C4' energy: -65.756
flat angles P-C4'-P energy: -45.501
tors. eta vs tors. theta energy: -74.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -975.938098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.938098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.938098 (E_RNA)
where:
Base-Base interactions energy: -645.152
where: short stacking energy: -294.417
Base-Backbone interact. energy: 0.993
local terms energy: -331.779932
where:
bonds (distance) C4'-P energy: -64.077
bonds (distance) P-C4' energy: -66.097
flat angles C4'-P-C4' energy: -70.694
flat angles P-C4'-P energy: -41.652
tors. eta vs tors. theta energy: -89.261
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: 350
Temperature: 1.050000
Total energy: -910.835212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.835212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.835212 (E_RNA)
where:
Base-Base interactions energy: -608.052
where: short stacking energy: -244.235
Base-Backbone interact. energy: -1.631
local terms energy: -301.151957
where:
bonds (distance) C4'-P energy: -63.511
bonds (distance) P-C4' energy: -61.726
flat angles C4'-P-C4' energy: -69.968
flat angles P-C4'-P energy: -41.031
tors. eta vs tors. theta energy: -64.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -906.556717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.556717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.556717 (E_RNA)
where:
Base-Base interactions energy: -602.633
where: short stacking energy: -256.507
Base-Backbone interact. energy: -1.635
local terms energy: -302.288658
where:
bonds (distance) C4'-P energy: -57.360
bonds (distance) P-C4' energy: -68.529
flat angles C4'-P-C4' energy: -59.879
flat angles P-C4'-P energy: -40.973
tors. eta vs tors. theta energy: -75.548
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: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -771.145327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.145327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.145327 (E_RNA)
where:
Base-Base interactions energy: -493.421
where: short stacking energy: -230.516
Base-Backbone interact. energy: 2.871
local terms energy: -280.595151
where:
bonds (distance) C4'-P energy: -53.844
bonds (distance) P-C4' energy: -68.066
flat angles C4'-P-C4' energy: -62.842
flat angles P-C4'-P energy: -40.487
tors. eta vs tors. theta energy: -55.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -549.771985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.771985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.771985 (E_RNA)
where:
Base-Base interactions energy: -319.949
where: short stacking energy: -154.828
Base-Backbone interact. energy: 1.521
local terms energy: -231.344052
where:
bonds (distance) C4'-P energy: -63.455
bonds (distance) P-C4' energy: -52.239
flat angles C4'-P-C4' energy: -51.420
flat angles P-C4'-P energy: -36.949
tors. eta vs tors. theta energy: -27.280
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: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -538.859835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.859835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.859835 (E_RNA)
where:
Base-Base interactions energy: -305.175
where: short stacking energy: -155.933
Base-Backbone interact. energy: -0.432
local terms energy: -233.252635
where:
bonds (distance) C4'-P energy: -59.955
bonds (distance) P-C4' energy: -62.116
flat angles C4'-P-C4' energy: -59.166
flat angles P-C4'-P energy: -28.589
tors. eta vs tors. theta energy: -23.426
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: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -282.643208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.643208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.643208 (E_RNA)
where:
Base-Base interactions energy: -93.156
where: short stacking energy: -79.637
Base-Backbone interact. energy: -0.007
local terms energy: -189.480224
where:
bonds (distance) C4'-P energy: -53.977
bonds (distance) P-C4' energy: -61.379
flat angles C4'-P-C4' energy: -44.968
flat angles P-C4'-P energy: -30.126
tors. eta vs tors. theta energy: 0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -294.672675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.672675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.672675 (E_RNA)
where:
Base-Base interactions energy: -114.455
where: short stacking energy: -95.474
Base-Backbone interact. energy: 1.848
local terms energy: -182.066060
where:
bonds (distance) C4'-P energy: -50.629
bonds (distance) P-C4' energy: -58.275
flat angles C4'-P-C4' energy: -56.022
flat angles P-C4'-P energy: -29.395
tors. eta vs tors. theta energy: 12.255
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: 1, replica: 4
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1053.137136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.137136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.137136 (E_RNA)
where:
Base-Base interactions energy: -708.722
where: short stacking energy: -313.353
Base-Backbone interact. energy: -0.840
local terms energy: -343.575274
where:
bonds (distance) C4'-P energy: -64.167
bonds (distance) P-C4' energy: -59.062
flat angles C4'-P-C4' energy: -77.692
flat angles P-C4'-P energy: -50.864
tors. eta vs tors. theta energy: -91.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1025.924453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.924453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.924453 (E_RNA)
where:
Base-Base interactions energy: -706.839
where: short stacking energy: -299.868
Base-Backbone interact. energy: -0.100
local terms energy: -318.985316
where:
bonds (distance) C4'-P energy: -65.327
bonds (distance) P-C4' energy: -62.183
flat angles C4'-P-C4' energy: -66.962
flat angles P-C4'-P energy: -45.118
tors. eta vs tors. theta energy: -79.396
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: 3, replica: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -981.832640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.832640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.832640 (E_RNA)
where:
Base-Base interactions energy: -651.327
where: short stacking energy: -298.948
Base-Backbone interact. energy: -1.520
local terms energy: -328.986459
where:
bonds (distance) C4'-P energy: -63.976
bonds (distance) P-C4' energy: -61.682
flat angles C4'-P-C4' energy: -67.578
flat angles P-C4'-P energy: -50.352
tors. eta vs tors. theta energy: -85.399
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: 4, replica: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -929.683426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.683426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.683426 (E_RNA)
where:
Base-Base interactions energy: -626.703
where: short stacking energy: -275.760
Base-Backbone interact. energy: -0.267
local terms energy: -302.713781
where:
bonds (distance) C4'-P energy: -60.935
bonds (distance) P-C4' energy: -68.629
flat angles C4'-P-C4' energy: -61.096
flat angles P-C4'-P energy: -32.354
tors. eta vs tors. theta energy: -79.700
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: 5, replica: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -874.382471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.382471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.382471 (E_RNA)
where:
Base-Base interactions energy: -594.308
where: short stacking energy: -275.350
Base-Backbone interact. energy: 3.419
local terms energy: -283.493465
where:
bonds (distance) C4'-P energy: -47.691
bonds (distance) P-C4' energy: -59.943
flat angles C4'-P-C4' energy: -58.393
flat angles P-C4'-P energy: -43.643
tors. eta vs tors. theta energy: -73.824
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: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -752.053317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.053317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.053317 (E_RNA)
where:
Base-Base interactions energy: -475.244
where: short stacking energy: -210.760
Base-Backbone interact. energy: 0.653
local terms energy: -277.461730
where:
bonds (distance) C4'-P energy: -55.970
bonds (distance) P-C4' energy: -62.317
flat angles C4'-P-C4' energy: -64.177
flat angles P-C4'-P energy: -47.640
tors. eta vs tors. theta energy: -47.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -513.393529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.393529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.393529 (E_RNA)
where:
Base-Base interactions energy: -287.441
where: short stacking energy: -144.968
Base-Backbone interact. energy: -3.209
local terms energy: -222.744172
where:
bonds (distance) C4'-P energy: -54.137
bonds (distance) P-C4' energy: -59.587
flat angles C4'-P-C4' energy: -49.632
flat angles P-C4'-P energy: -46.766
tors. eta vs tors. theta energy: -12.622
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: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -560.834028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.834028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.834028 (E_RNA)
where:
Base-Base interactions energy: -346.923
where: short stacking energy: -149.495
Base-Backbone interact. energy: -0.520
local terms energy: -213.391820
where:
bonds (distance) C4'-P energy: -47.247
bonds (distance) P-C4' energy: -51.872
flat angles C4'-P-C4' energy: -50.903
flat angles P-C4'-P energy: -39.247
tors. eta vs tors. theta energy: -24.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -278.383244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.383244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.383244 (E_RNA)
where:
Base-Base interactions energy: -120.539
where: short stacking energy: -93.221
Base-Backbone interact. energy: -0.310
local terms energy: -157.533612
where:
bonds (distance) C4'-P energy: -57.128
bonds (distance) P-C4' energy: -53.334
flat angles C4'-P-C4' energy: -40.223
flat angles P-C4'-P energy: -20.441
tors. eta vs tors. theta energy: 13.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -269.348206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.348206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.348206 (E_RNA)
where:
Base-Base interactions energy: -81.640
where: short stacking energy: -64.194
Base-Backbone interact. energy: 1.618
local terms energy: -189.326235
where:
bonds (distance) C4'-P energy: -45.842
bonds (distance) P-C4' energy: -67.191
flat angles C4'-P-C4' energy: -45.414
flat angles P-C4'-P energy: -33.371
tors. eta vs tors. theta energy: 2.492
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: 4
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1044.539237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.539237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.539237 (E_RNA)
where:
Base-Base interactions energy: -707.627
where: short stacking energy: -296.262
Base-Backbone interact. energy: -3.554
local terms energy: -333.358224
where:
bonds (distance) C4'-P energy: -61.062
bonds (distance) P-C4' energy: -63.952
flat angles C4'-P-C4' energy: -69.165
flat angles P-C4'-P energy: -54.289
tors. eta vs tors. theta energy: -84.890
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: 8
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1027.199622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.199622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.199622 (E_RNA)
where:
Base-Base interactions energy: -704.319
where: short stacking energy: -309.349
Base-Backbone interact. energy: 1.024
local terms energy: -323.904113
where:
bonds (distance) C4'-P energy: -57.429
bonds (distance) P-C4' energy: -69.631
flat angles C4'-P-C4' energy: -78.802
flat angles P-C4'-P energy: -45.357
tors. eta vs tors. theta energy: -72.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -979.573544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.573544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.573544 (E_RNA)
where:
Base-Base interactions energy: -667.147
where: short stacking energy: -286.321
Base-Backbone interact. energy: -1.321
local terms energy: -311.106111
where:
bonds (distance) C4'-P energy: -61.709
bonds (distance) P-C4' energy: -54.061
flat angles C4'-P-C4' energy: -64.052
flat angles P-C4'-P energy: -51.530
tors. eta vs tors. theta energy: -79.754
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: 4, replica: 9
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -901.118746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.118746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.118746 (E_RNA)
where:
Base-Base interactions energy: -587.029
where: short stacking energy: -274.337
Base-Backbone interact. energy: -0.182
local terms energy: -313.994181
where:
bonds (distance) C4'-P energy: -66.116
bonds (distance) P-C4' energy: -61.456
flat angles C4'-P-C4' energy: -66.226
flat angles P-C4'-P energy: -44.713
tors. eta vs tors. theta energy: -75.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.087 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -844.898422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.898422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.898422 (E_RNA)
where:
Base-Base interactions energy: -558.564
where: short stacking energy: -229.724
Base-Backbone interact. energy: -2.291
local terms energy: -284.043842
where:
bonds (distance) C4'-P energy: -52.193
bonds (distance) P-C4' energy: -59.891
flat angles C4'-P-C4' energy: -71.671
flat angles P-C4'-P energy: -38.915
tors. eta vs tors. theta energy: -61.373
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: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -741.140432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.140432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.140432 (E_RNA)
where:
Base-Base interactions energy: -480.527
where: short stacking energy: -234.823
Base-Backbone interact. energy: -2.006
local terms energy: -258.607317
where:
bonds (distance) C4'-P energy: -55.861
bonds (distance) P-C4' energy: -55.991
flat angles C4'-P-C4' energy: -64.970
flat angles P-C4'-P energy: -32.836
tors. eta vs tors. theta energy: -48.950
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: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -573.668345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.668345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.668345 (E_RNA)
where:
Base-Base interactions energy: -338.143
where: short stacking energy: -156.503
Base-Backbone interact. energy: -1.120
local terms energy: -234.405083
where:
bonds (distance) C4'-P energy: -57.114
bonds (distance) P-C4' energy: -60.067
flat angles C4'-P-C4' energy: -46.900
flat angles P-C4'-P energy: -42.779
tors. eta vs tors. theta energy: -27.545
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: 8, replica: 1
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -478.149925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.149925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.149925 (E_RNA)
where:
Base-Base interactions energy: -273.025
where: short stacking energy: -142.131
Base-Backbone interact. energy: -1.869
local terms energy: -203.255824
where:
bonds (distance) C4'-P energy: -45.048
bonds (distance) P-C4' energy: -54.016
flat angles C4'-P-C4' energy: -44.331
flat angles P-C4'-P energy: -37.977
tors. eta vs tors. theta energy: -21.884
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: 9, replica: 3
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -284.297335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.297335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.297335 (E_RNA)
where:
Base-Base interactions energy: -100.542
where: short stacking energy: -89.343
Base-Backbone interact. energy: -0.675
local terms energy: -183.080334
where:
bonds (distance) C4'-P energy: -56.708
bonds (distance) P-C4' energy: -50.664
flat angles C4'-P-C4' energy: -48.716
flat angles P-C4'-P energy: -33.433
tors. eta vs tors. theta energy: 6.441
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: 352
Temperature: 1.350000
Total energy: -258.614540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.614540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.614540 (E_RNA)
where:
Base-Base interactions energy: -106.041
where: short stacking energy: -74.031
Base-Backbone interact. energy: 4.769
local terms energy: -157.342181
where:
bonds (distance) C4'-P energy: -52.196
bonds (distance) P-C4' energy: -48.017
flat angles C4'-P-C4' energy: -54.054
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: 15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1072.532107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.532107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.532107 (E_RNA)
where:
Base-Base interactions energy: -728.110
where: short stacking energy: -318.006
Base-Backbone interact. energy: 2.030
local terms energy: -346.452471
where:
bonds (distance) C4'-P energy: -66.914
bonds (distance) P-C4' energy: -66.903
flat angles C4'-P-C4' energy: -71.006
flat angles P-C4'-P energy: -46.939
tors. eta vs tors. theta energy: -94.691
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: 2, replica: 8
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1017.891055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.891055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.891055 (E_RNA)
where:
Base-Base interactions energy: -700.575
where: short stacking energy: -272.570
Base-Backbone interact. energy: -1.665
local terms energy: -315.650875
where:
bonds (distance) C4'-P energy: -59.031
bonds (distance) P-C4' energy: -69.294
flat angles C4'-P-C4' energy: -71.923
flat angles P-C4'-P energy: -44.891
tors. eta vs tors. theta energy: -70.512
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: 10
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -952.681353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.681353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.681353 (E_RNA)
where:
Base-Base interactions energy: -623.588
where: short stacking energy: -283.465
Base-Backbone interact. energy: -0.271
local terms energy: -328.822874
where:
bonds (distance) C4'-P energy: -64.131
bonds (distance) P-C4' energy: -67.430
flat angles C4'-P-C4' energy: -72.884
flat angles P-C4'-P energy: -37.363
tors. eta vs tors. theta energy: -87.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -833.986013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.986013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.986013 (E_RNA)
where:
Base-Base interactions energy: -536.023
where: short stacking energy: -240.335
Base-Backbone interact. energy: -0.922
local terms energy: -297.041275
where:
bonds (distance) C4'-P energy: -65.939
bonds (distance) P-C4' energy: -66.947
flat angles C4'-P-C4' energy: -65.792
flat angles P-C4'-P energy: -36.799
tors. eta vs tors. theta energy: -61.563
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: 5, replica: 9
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -879.366084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.366084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.366084 (E_RNA)
where:
Base-Base interactions energy: -578.123
where: short stacking energy: -258.944
Base-Backbone interact. energy: -1.577
local terms energy: -299.665960
where:
bonds (distance) C4'-P energy: -52.824
bonds (distance) P-C4' energy: -58.313
flat angles C4'-P-C4' energy: -75.545
flat angles P-C4'-P energy: -40.977
tors. eta vs tors. theta energy: -72.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -801.461151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.461151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.461151 (E_RNA)
where:
Base-Base interactions energy: -511.558
where: short stacking energy: -246.649
Base-Backbone interact. energy: -2.621
local terms energy: -287.282241
where:
bonds (distance) C4'-P energy: -57.482
bonds (distance) P-C4' energy: -53.036
flat angles C4'-P-C4' energy: -66.542
flat angles P-C4'-P energy: -47.147
tors. eta vs tors. theta energy: -63.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -611.895635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.895635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.895635 (E_RNA)
where:
Base-Base interactions energy: -375.046
where: short stacking energy: -176.737
Base-Backbone interact. energy: 1.553
local terms energy: -238.402271
where:
bonds (distance) C4'-P energy: -62.176
bonds (distance) P-C4' energy: -52.801
flat angles C4'-P-C4' energy: -62.048
flat angles P-C4'-P energy: -31.866
tors. eta vs tors. theta energy: -29.511
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: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -501.659282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.659282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.659282 (E_RNA)
where:
Base-Base interactions energy: -281.149
where: short stacking energy: -146.264
Base-Backbone interact. energy: 0.587
local terms energy: -221.097770
where:
bonds (distance) C4'-P energy: -54.139
bonds (distance) P-C4' energy: -55.630
flat angles C4'-P-C4' energy: -41.468
flat angles P-C4'-P energy: -40.914
tors. eta vs tors. theta energy: -28.947
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: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -315.286497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.286497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.286497 (E_RNA)
where:
Base-Base interactions energy: -127.462
where: short stacking energy: -101.068
Base-Backbone interact. energy: 1.847
local terms energy: -192.810923
where:
bonds (distance) C4'-P energy: -56.406
bonds (distance) P-C4' energy: -56.916
flat angles C4'-P-C4' energy: -48.082
flat angles P-C4'-P energy: -24.072
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: 3.139 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -256.214918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.214918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.214918 (E_RNA)
where:
Base-Base interactions energy: -82.722
where: short stacking energy: -70.888
Base-Backbone interact. energy: -0.218
local terms energy: -174.791910
where:
bonds (distance) C4'-P energy: -62.167
bonds (distance) P-C4' energy: -57.278
flat angles C4'-P-C4' energy: -45.161
flat angles P-C4'-P energy: -29.661
tors. eta vs tors. theta energy: 19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.517 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1062.423614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.423614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.423614 (E_RNA)
where:
Base-Base interactions energy: -712.798
where: short stacking energy: -315.485
Base-Backbone interact. energy: -1.744
local terms energy: -347.881445
where:
bonds (distance) C4'-P energy: -64.147
bonds (distance) P-C4' energy: -68.900
flat angles C4'-P-C4' energy: -75.651
flat angles P-C4'-P energy: -49.402
tors. eta vs tors. theta energy: -89.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1027.595179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.595179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.595179 (E_RNA)
where:
Base-Base interactions energy: -701.022
where: short stacking energy: -300.480
Base-Backbone interact. energy: -2.127
local terms energy: -324.446010
where:
bonds (distance) C4'-P energy: -63.328
bonds (distance) P-C4' energy: -70.905
flat angles C4'-P-C4' energy: -75.173
flat angles P-C4'-P energy: -34.694
tors. eta vs tors. theta energy: -80.346
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: 3, replica: 10
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -955.009969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.009969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.009969 (E_RNA)
where:
Base-Base interactions energy: -628.319
where: short stacking energy: -273.522
Base-Backbone interact. energy: -0.752
local terms energy: -325.938655
where:
bonds (distance) C4'-P energy: -56.369
bonds (distance) P-C4' energy: -67.280
flat angles C4'-P-C4' energy: -68.381
flat angles P-C4'-P energy: -50.079
tors. eta vs tors. theta energy: -83.829
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: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -856.130508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.130508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.130508 (E_RNA)
where:
Base-Base interactions energy: -567.212
where: short stacking energy: -271.498
Base-Backbone interact. energy: -0.951
local terms energy: -288.417793
where:
bonds (distance) C4'-P energy: -55.950
bonds (distance) P-C4' energy: -61.686
flat angles C4'-P-C4' energy: -61.727
flat angles P-C4'-P energy: -40.418
tors. eta vs tors. theta energy: -68.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.450 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -872.792858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.792858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.792858 (E_RNA)
where:
Base-Base interactions energy: -590.475
where: short stacking energy: -251.518
Base-Backbone interact. energy: -1.798
local terms energy: -280.519849
where:
bonds (distance) C4'-P energy: -58.133
bonds (distance) P-C4' energy: -68.557
flat angles C4'-P-C4' energy: -58.045
flat angles P-C4'-P energy: -34.728
tors. eta vs tors. theta energy: -61.057
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: 2
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -754.510999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.510999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.510999 (E_RNA)
where:
Base-Base interactions energy: -481.904
where: short stacking energy: -228.141
Base-Backbone interact. energy: 0.340
local terms energy: -272.946883
where:
bonds (distance) C4'-P energy: -55.155
bonds (distance) P-C4' energy: -65.837
flat angles C4'-P-C4' energy: -58.960
flat angles P-C4'-P energy: -35.851
tors. eta vs tors. theta energy: -57.143
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: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -614.607930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.607930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.607930 (E_RNA)
where:
Base-Base interactions energy: -356.633
where: short stacking energy: -181.838
Base-Backbone interact. energy: 2.588
local terms energy: -260.562936
where:
bonds (distance) C4'-P energy: -56.664
bonds (distance) P-C4' energy: -64.755
flat angles C4'-P-C4' energy: -62.667
flat angles P-C4'-P energy: -34.291
tors. eta vs tors. theta energy: -42.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -460.552981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.552981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.552981 (E_RNA)
where:
Base-Base interactions energy: -239.943
where: short stacking energy: -140.556
Base-Backbone interact. energy: 1.005
local terms energy: -221.615070
where:
bonds (distance) C4'-P energy: -48.606
bonds (distance) P-C4' energy: -65.917
flat angles C4'-P-C4' energy: -48.715
flat angles P-C4'-P energy: -34.056
tors. eta vs tors. theta energy: -24.322
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: 9, replica: 3
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -271.555238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.555238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.555238 (E_RNA)
where:
Base-Base interactions energy: -91.214
where: short stacking energy: -62.716
Base-Backbone interact. energy: -0.271
local terms energy: -180.070294
where:
bonds (distance) C4'-P energy: -51.218
bonds (distance) P-C4' energy: -66.351
flat angles C4'-P-C4' energy: -44.859
flat angles P-C4'-P energy: -29.097
tors. eta vs tors. theta energy: 11.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -270.268676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.268676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.268676 (E_RNA)
where:
Base-Base interactions energy: -79.711
where: short stacking energy: -65.686
Base-Backbone interact. energy: -0.582
local terms energy: -189.976124
where:
bonds (distance) C4'-P energy: -63.411
bonds (distance) P-C4' energy: -49.698
flat angles C4'-P-C4' energy: -46.236
flat angles P-C4'-P energy: -37.461
tors. eta vs tors. theta energy: 6.830
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: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1062.057588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.057588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.057588 (E_RNA)
where:
Base-Base interactions energy: -725.754
where: short stacking energy: -313.884
Base-Backbone interact. energy: 2.071
local terms energy: -338.374007
where:
bonds (distance) C4'-P energy: -59.985
bonds (distance) P-C4' energy: -65.292
flat angles C4'-P-C4' energy: -73.243
flat angles P-C4'-P energy: -45.322
tors. eta vs tors. theta energy: -94.533
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: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1024.512320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.512320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.512320 (E_RNA)
where:
Base-Base interactions energy: -692.262
where: short stacking energy: -286.096
Base-Backbone interact. energy: -1.470
local terms energy: -330.780620
where:
bonds (distance) C4'-P energy: -62.357
bonds (distance) P-C4' energy: -59.581
flat angles C4'-P-C4' energy: -71.420
flat angles P-C4'-P energy: -60.865
tors. eta vs tors. theta energy: -76.558
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: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -971.444163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.444163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.444163 (E_RNA)
where:
Base-Base interactions energy: -645.345
where: short stacking energy: -307.419
Base-Backbone interact. energy: -0.122
local terms energy: -325.976734
where:
bonds (distance) C4'-P energy: -62.922
bonds (distance) P-C4' energy: -58.638
flat angles C4'-P-C4' energy: -71.958
flat angles P-C4'-P energy: -45.506
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: 4, replica: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -904.730569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.730569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.730569 (E_RNA)
where:
Base-Base interactions energy: -601.207
where: short stacking energy: -265.786
Base-Backbone interact. energy: -2.437
local terms energy: -301.086005
where:
bonds (distance) C4'-P energy: -58.504
bonds (distance) P-C4' energy: -58.526
flat angles C4'-P-C4' energy: -59.325
flat angles P-C4'-P energy: -47.485
tors. eta vs tors. theta energy: -77.247
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: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -850.788511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.788511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.788511 (E_RNA)
where:
Base-Base interactions energy: -571.612
where: short stacking energy: -243.930
Base-Backbone interact. energy: 0.439
local terms energy: -279.615745
where:
bonds (distance) C4'-P energy: -62.833
bonds (distance) P-C4' energy: -66.546
flat angles C4'-P-C4' energy: -57.717
flat angles P-C4'-P energy: -32.356
tors. eta vs tors. theta energy: -60.164
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: 2
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -726.145350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.145350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.145350 (E_RNA)
where:
Base-Base interactions energy: -453.432
where: short stacking energy: -206.024
Base-Backbone interact. energy: -0.432
local terms energy: -272.281230
where:
bonds (distance) C4'-P energy: -66.868
bonds (distance) P-C4' energy: -67.926
flat angles C4'-P-C4' energy: -51.350
flat angles P-C4'-P energy: -36.110
tors. eta vs tors. theta energy: -50.028
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: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -608.106876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.106876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.106876 (E_RNA)
where:
Base-Base interactions energy: -374.204
where: short stacking energy: -190.898
Base-Backbone interact. energy: 0.895
local terms energy: -234.798284
where:
bonds (distance) C4'-P energy: -34.978
bonds (distance) P-C4' energy: -59.063
flat angles C4'-P-C4' energy: -63.379
flat angles P-C4'-P energy: -35.432
tors. eta vs tors. theta energy: -41.947
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: 8, replica: 1
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -461.893381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.893381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.893381 (E_RNA)
where:
Base-Base interactions energy: -243.786
where: short stacking energy: -129.550
Base-Backbone interact. energy: -1.586
local terms energy: -216.521053
where:
bonds (distance) C4'-P energy: -60.842
bonds (distance) P-C4' energy: -50.411
flat angles C4'-P-C4' energy: -57.733
flat angles P-C4'-P energy: -40.553
tors. eta vs tors. theta energy: -6.983
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: 3
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -280.866096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.866096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.866096 (E_RNA)
where:
Base-Base interactions energy: -93.366
where: short stacking energy: -79.390
Base-Backbone interact. energy: -1.213
local terms energy: -186.287240
where:
bonds (distance) C4'-P energy: -37.567
bonds (distance) P-C4' energy: -62.697
flat angles C4'-P-C4' energy: -48.888
flat angles P-C4'-P energy: -29.946
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -264.941310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.941310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.941310 (E_RNA)
where:
Base-Base interactions energy: -90.548
where: short stacking energy: -84.063
Base-Backbone interact. energy: -2.884
local terms energy: -171.509956
where:
bonds (distance) C4'-P energy: -64.955
bonds (distance) P-C4' energy: -50.346
flat angles C4'-P-C4' energy: -48.079
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: 7.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1063.590427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.590427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.590427 (E_RNA)
where:
Base-Base interactions energy: -722.825
where: short stacking energy: -309.935
Base-Backbone interact. energy: 2.610
local terms energy: -343.374798
where:
bonds (distance) C4'-P energy: -71.300
bonds (distance) P-C4' energy: -64.000
flat angles C4'-P-C4' energy: -73.596
flat angles P-C4'-P energy: -50.169
tors. eta vs tors. theta energy: -84.308
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: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1021.070841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.070841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.070841 (E_RNA)
where:
Base-Base interactions energy: -705.673
where: short stacking energy: -315.983
Base-Backbone interact. energy: 4.250
local terms energy: -319.647410
where:
bonds (distance) C4'-P energy: -67.550
bonds (distance) P-C4' energy: -60.232
flat angles C4'-P-C4' energy: -59.403
flat angles P-C4'-P energy: -46.133
tors. eta vs tors. theta energy: -86.329
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: 3, replica: 10
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -993.312285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.312285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.312285 (E_RNA)
where:
Base-Base interactions energy: -676.353
where: short stacking energy: -297.254
Base-Backbone interact. energy: -1.343
local terms energy: -315.616585
where:
bonds (distance) C4'-P energy: -55.100
bonds (distance) P-C4' energy: -70.099
flat angles C4'-P-C4' energy: -64.041
flat angles P-C4'-P energy: -42.826
tors. eta vs tors. theta energy: -83.551
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: 4, replica: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -933.329187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.329187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.329187 (E_RNA)
where:
Base-Base interactions energy: -605.065
where: short stacking energy: -269.446
Base-Backbone interact. energy: 0.807
local terms energy: -329.071542
where:
bonds (distance) C4'-P energy: -66.229
bonds (distance) P-C4' energy: -61.255
flat angles C4'-P-C4' energy: -76.508
flat angles P-C4'-P energy: -50.134
tors. eta vs tors. theta energy: -74.945
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: 356
Temperature: 1.100000
Total energy: -857.969812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.969812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.969812 (E_RNA)
where:
Base-Base interactions energy: -560.000
where: short stacking energy: -238.249
Base-Backbone interact. energy: -1.922
local terms energy: -296.051497
where:
bonds (distance) C4'-P energy: -54.456
bonds (distance) P-C4' energy: -70.556
flat angles C4'-P-C4' energy: -65.873
flat angles P-C4'-P energy: -48.741
tors. eta vs tors. theta energy: -56.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.004 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -699.089399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.089399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.089399 (E_RNA)
where:
Base-Base interactions energy: -464.212
where: short stacking energy: -194.691
Base-Backbone interact. energy: -0.150
local terms energy: -234.727085
where:
bonds (distance) C4'-P energy: -48.625
bonds (distance) P-C4' energy: -57.669
flat angles C4'-P-C4' energy: -57.948
flat angles P-C4'-P energy: -31.082
tors. eta vs tors. theta energy: -39.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -620.069326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.069326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.069326 (E_RNA)
where:
Base-Base interactions energy: -376.095
where: short stacking energy: -180.734
Base-Backbone interact. energy: -1.885
local terms energy: -242.089017
where:
bonds (distance) C4'-P energy: -45.191
bonds (distance) P-C4' energy: -62.078
flat angles C4'-P-C4' energy: -59.335
flat angles P-C4'-P energy: -32.411
tors. eta vs tors. theta energy: -43.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -492.584214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.584214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.584214 (E_RNA)
where:
Base-Base interactions energy: -285.525
where: short stacking energy: -125.925
Base-Backbone interact. energy: -1.628
local terms energy: -205.430897
where:
bonds (distance) C4'-P energy: -43.771
bonds (distance) P-C4' energy: -50.870
flat angles C4'-P-C4' energy: -64.190
flat angles P-C4'-P energy: -30.455
tors. eta vs tors. theta energy: -16.145
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: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -320.747191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.747191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.747191 (E_RNA)
where:
Base-Base interactions energy: -114.624
where: short stacking energy: -106.884
Base-Backbone interact. energy: -0.386
local terms energy: -206.099525
where:
bonds (distance) C4'-P energy: -51.013
bonds (distance) P-C4' energy: -63.440
flat angles C4'-P-C4' energy: -54.917
flat angles P-C4'-P energy: -32.896
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.362 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -273.852442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.852442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.852442 (E_RNA)
where:
Base-Base interactions energy: -95.517
where: short stacking energy: -91.226
Base-Backbone interact. energy: -0.745
local terms energy: -177.590757
where:
bonds (distance) C4'-P energy: -55.885
bonds (distance) P-C4' energy: -57.743
flat angles C4'-P-C4' energy: -46.504
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: 6.100
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: 4
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1056.816761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.816761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.816761 (E_RNA)
where:
Base-Base interactions energy: -711.603
where: short stacking energy: -316.470
Base-Backbone interact. energy: 0.553
local terms energy: -345.767338
where:
bonds (distance) C4'-P energy: -59.300
bonds (distance) P-C4' energy: -67.013
flat angles C4'-P-C4' energy: -80.098
flat angles P-C4'-P energy: -48.272
tors. eta vs tors. theta energy: -91.084
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: 2, replica: 8
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1052.314176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.314176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.314176 (E_RNA)
where:
Base-Base interactions energy: -740.474
where: short stacking energy: -311.021
Base-Backbone interact. energy: 0.249
local terms energy: -312.088966
where:
bonds (distance) C4'-P energy: -52.782
bonds (distance) P-C4' energy: -63.493
flat angles C4'-P-C4' energy: -68.749
flat angles P-C4'-P energy: -45.068
tors. eta vs tors. theta energy: -81.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1017.519230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.519230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.519230 (E_RNA)
where:
Base-Base interactions energy: -684.482
where: short stacking energy: -304.094
Base-Backbone interact. energy: -2.899
local terms energy: -330.138293
where:
bonds (distance) C4'-P energy: -61.835
bonds (distance) P-C4' energy: -64.225
flat angles C4'-P-C4' energy: -66.338
flat angles P-C4'-P energy: -48.505
tors. eta vs tors. theta energy: -89.235
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: 357
Temperature: 1.050000
Total energy: -947.594104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.594104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.594104 (E_RNA)
where:
Base-Base interactions energy: -621.990
where: short stacking energy: -268.023
Base-Backbone interact. energy: -1.331
local terms energy: -324.273242
where:
bonds (distance) C4'-P energy: -59.755
bonds (distance) P-C4' energy: -71.535
flat angles C4'-P-C4' energy: -68.491
flat angles P-C4'-P energy: -43.987
tors. eta vs tors. theta energy: -80.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -859.949037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.949037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.949037 (E_RNA)
where:
Base-Base interactions energy: -555.442
where: short stacking energy: -249.758
Base-Backbone interact. energy: -1.323
local terms energy: -303.183617
where:
bonds (distance) C4'-P energy: -54.392
bonds (distance) P-C4' energy: -62.851
flat angles C4'-P-C4' energy: -70.512
flat angles P-C4'-P energy: -40.237
tors. eta vs tors. theta energy: -75.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -711.763953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.763953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.763953 (E_RNA)
where:
Base-Base interactions energy: -439.187
where: short stacking energy: -191.198
Base-Backbone interact. energy: -1.396
local terms energy: -271.180760
where:
bonds (distance) C4'-P energy: -52.872
bonds (distance) P-C4' energy: -61.600
flat angles C4'-P-C4' energy: -57.867
flat angles P-C4'-P energy: -48.458
tors. eta vs tors. theta energy: -50.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -619.869077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.869077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.869077 (E_RNA)
where:
Base-Base interactions energy: -375.828
where: short stacking energy: -180.578
Base-Backbone interact. energy: -0.827
local terms energy: -243.213862
where:
bonds (distance) C4'-P energy: -59.175
bonds (distance) P-C4' energy: -57.728
flat angles C4'-P-C4' energy: -56.682
flat angles P-C4'-P energy: -42.552
tors. eta vs tors. theta energy: -27.076
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: 8, replica: 1
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -474.802968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.802968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.802968 (E_RNA)
where:
Base-Base interactions energy: -260.217
where: short stacking energy: -136.622
Base-Backbone interact. energy: -3.380
local terms energy: -211.206120
where:
bonds (distance) C4'-P energy: -51.258
bonds (distance) P-C4' energy: -58.323
flat angles C4'-P-C4' energy: -56.951
flat angles P-C4'-P energy: -29.951
tors. eta vs tors. theta energy: -14.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -308.565087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.565087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.565087 (E_RNA)
where:
Base-Base interactions energy: -109.754
where: short stacking energy: -99.515
Base-Backbone interact. energy: -1.190
local terms energy: -197.620372
where:
bonds (distance) C4'-P energy: -62.716
bonds (distance) P-C4' energy: -56.686
flat angles C4'-P-C4' energy: -51.336
flat angles P-C4'-P energy: -27.807
tors. eta vs tors. theta energy: 0.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -297.076665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.076665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.076665 (E_RNA)
where:
Base-Base interactions energy: -147.770
where: short stacking energy: -85.320
Base-Backbone interact. energy: 0.961
local terms energy: -150.864469
where:
bonds (distance) C4'-P energy: -51.201
bonds (distance) P-C4' energy: -44.059
flat angles C4'-P-C4' energy: -47.684
flat angles P-C4'-P energy: -18.573
tors. eta vs tors. theta energy: 10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.597 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1062.501634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.501634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.501634 (E_RNA)
where:
Base-Base interactions energy: -717.101
where: short stacking energy: -300.463
Base-Backbone interact. energy: -3.796
local terms energy: -341.603721
where:
bonds (distance) C4'-P energy: -65.476
bonds (distance) P-C4' energy: -72.272
flat angles C4'-P-C4' energy: -74.433
flat angles P-C4'-P energy: -41.510
tors. eta vs tors. theta energy: -87.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1056.042542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.042542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.042542 (E_RNA)
where:
Base-Base interactions energy: -728.327
where: short stacking energy: -315.461
Base-Backbone interact. energy: 0.445
local terms energy: -328.161130
where:
bonds (distance) C4'-P energy: -64.744
bonds (distance) P-C4' energy: -61.111
flat angles C4'-P-C4' energy: -70.904
flat angles P-C4'-P energy: -44.822
tors. eta vs tors. theta energy: -86.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1003.307029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.307029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.307029 (E_RNA)
where:
Base-Base interactions energy: -668.789
where: short stacking energy: -298.495
Base-Backbone interact. energy: -1.063
local terms energy: -333.454436
where:
bonds (distance) C4'-P energy: -63.990
bonds (distance) P-C4' energy: -63.975
flat angles C4'-P-C4' energy: -63.278
flat angles P-C4'-P energy: -49.332
tors. eta vs tors. theta energy: -92.880
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: 4, replica: 9
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -907.692965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.692965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.692965 (E_RNA)
where:
Base-Base interactions energy: -620.842
where: short stacking energy: -268.148
Base-Backbone interact. energy: 0.912
local terms energy: -287.763133
where:
bonds (distance) C4'-P energy: -57.480
bonds (distance) P-C4' energy: -55.400
flat angles C4'-P-C4' energy: -71.686
flat angles P-C4'-P energy: -32.849
tors. eta vs tors. theta energy: -70.349
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: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -886.422679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.422679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.422679 (E_RNA)
where:
Base-Base interactions energy: -593.538
where: short stacking energy: -256.152
Base-Backbone interact. energy: -1.209
local terms energy: -291.676145
where:
bonds (distance) C4'-P energy: -67.753
bonds (distance) P-C4' energy: -44.170
flat angles C4'-P-C4' energy: -66.175
flat angles P-C4'-P energy: -41.602
tors. eta vs tors. theta energy: -71.976
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: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -754.090642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.090642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.090642 (E_RNA)
where:
Base-Base interactions energy: -488.506
where: short stacking energy: -223.755
Base-Backbone interact. energy: -2.483
local terms energy: -263.100745
where:
bonds (distance) C4'-P energy: -53.804
bonds (distance) P-C4' energy: -61.043
flat angles C4'-P-C4' energy: -59.397
flat angles P-C4'-P energy: -30.710
tors. eta vs tors. theta energy: -58.146
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: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -631.633995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.633995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.633995 (E_RNA)
where:
Base-Base interactions energy: -411.476
where: short stacking energy: -181.549
Base-Backbone interact. energy: -2.678
local terms energy: -217.480630
where:
bonds (distance) C4'-P energy: -49.021
bonds (distance) P-C4' energy: -45.581
flat angles C4'-P-C4' energy: -48.014
flat angles P-C4'-P energy: -31.914
tors. eta vs tors. theta energy: -42.950
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: 1
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -457.429098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.429098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.429098 (E_RNA)
where:
Base-Base interactions energy: -243.659
where: short stacking energy: -124.670
Base-Backbone interact. energy: 0.365
local terms energy: -214.134611
where:
bonds (distance) C4'-P energy: -42.121
bonds (distance) P-C4' energy: -62.649
flat angles C4'-P-C4' energy: -60.935
flat angles P-C4'-P energy: -34.817
tors. eta vs tors. theta energy: -13.613
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: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -288.912003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.912003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.912003 (E_RNA)
where:
Base-Base interactions energy: -111.588
where: short stacking energy: -98.386
Base-Backbone interact. energy: 2.842
local terms energy: -180.166046
where:
bonds (distance) C4'-P energy: -48.385
bonds (distance) P-C4' energy: -47.297
flat angles C4'-P-C4' energy: -49.805
flat angles P-C4'-P energy: -35.126
tors. eta vs tors. theta energy: 0.447
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: 10, replica: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -304.757442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.757442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.757442 (E_RNA)
where:
Base-Base interactions energy: -112.289
where: short stacking energy: -102.082
Base-Backbone interact. energy: 0.597
local terms energy: -193.065290
where:
bonds (distance) C4'-P energy: -53.384
bonds (distance) P-C4' energy: -60.859
flat angles C4'-P-C4' energy: -51.399
flat angles P-C4'-P energy: -33.107
tors. eta vs tors. theta energy: 5.683
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: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1049.383618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.383618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.383618 (E_RNA)
where:
Base-Base interactions energy: -706.123
where: short stacking energy: -293.008
Base-Backbone interact. energy: -3.283
local terms energy: -339.978349
where:
bonds (distance) C4'-P energy: -67.328
bonds (distance) P-C4' energy: -63.554
flat angles C4'-P-C4' energy: -77.186
flat angles P-C4'-P energy: -47.866
tors. eta vs tors. theta energy: -84.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1058.851524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.851524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.851524 (E_RNA)
where:
Base-Base interactions energy: -719.812
where: short stacking energy: -308.079
Base-Backbone interact. energy: -1.020
local terms energy: -338.019583
where:
bonds (distance) C4'-P energy: -61.877
bonds (distance) P-C4' energy: -63.460
flat angles C4'-P-C4' energy: -76.843
flat angles P-C4'-P energy: -46.700
tors. eta vs tors. theta energy: -89.139
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: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1007.043660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.043660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.043660 (E_RNA)
where:
Base-Base interactions energy: -657.293
where: short stacking energy: -300.799
Base-Backbone interact. energy: -0.540
local terms energy: -349.210767
where:
bonds (distance) C4'-P energy: -62.411
bonds (distance) P-C4' energy: -72.851
flat angles C4'-P-C4' energy: -77.977
flat angles P-C4'-P energy: -44.163
tors. eta vs tors. theta energy: -91.808
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: 4, replica: 9
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -887.918530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.918530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.918530 (E_RNA)
where:
Base-Base interactions energy: -591.145
where: short stacking energy: -231.512
Base-Backbone interact. energy: -3.094
local terms energy: -293.678993
where:
bonds (distance) C4'-P energy: -53.421
bonds (distance) P-C4' energy: -63.135
flat angles C4'-P-C4' energy: -64.966
flat angles P-C4'-P energy: -43.713
tors. eta vs tors. theta energy: -68.445
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: 5
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -875.599467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.599467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.599467 (E_RNA)
where:
Base-Base interactions energy: -574.391
where: short stacking energy: -256.207
Base-Backbone interact. energy: -1.887
local terms energy: -299.321777
where:
bonds (distance) C4'-P energy: -51.405
bonds (distance) P-C4' energy: -64.796
flat angles C4'-P-C4' energy: -63.517
flat angles P-C4'-P energy: -43.537
tors. eta vs tors. theta energy: -76.067
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: 2
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -734.463453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.463453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.463453 (E_RNA)
where:
Base-Base interactions energy: -465.942
where: short stacking energy: -223.155
Base-Backbone interact. energy: -0.544
local terms energy: -267.977596
where:
bonds (distance) C4'-P energy: -52.723
bonds (distance) P-C4' energy: -61.284
flat angles C4'-P-C4' energy: -63.220
flat angles P-C4'-P energy: -35.439
tors. eta vs tors. theta energy: -55.311
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: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -625.363239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.363239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.363239 (E_RNA)
where:
Base-Base interactions energy: -368.411
where: short stacking energy: -166.601
Base-Backbone interact. energy: -0.353
local terms energy: -256.599401
where:
bonds (distance) C4'-P energy: -54.006
bonds (distance) P-C4' energy: -67.441
flat angles C4'-P-C4' energy: -49.637
flat angles P-C4'-P energy: -42.913
tors. eta vs tors. theta energy: -42.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -489.621876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.621876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.621876 (E_RNA)
where:
Base-Base interactions energy: -269.778
where: short stacking energy: -142.924
Base-Backbone interact. energy: 3.428
local terms energy: -223.271624
where:
bonds (distance) C4'-P energy: -56.672
bonds (distance) P-C4' energy: -54.536
flat angles C4'-P-C4' energy: -54.465
flat angles P-C4'-P energy: -37.452
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -275.446618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.446618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.446618 (E_RNA)
where:
Base-Base interactions energy: -99.081
where: short stacking energy: -61.604
Base-Backbone interact. energy: 1.701
local terms energy: -178.066431
where:
bonds (distance) C4'-P energy: -56.068
bonds (distance) P-C4' energy: -55.439
flat angles C4'-P-C4' energy: -46.696
flat angles P-C4'-P energy: -34.730
tors. eta vs tors. theta energy: 14.866
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: 10, replica: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -261.110499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.110499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.110499 (E_RNA)
where:
Base-Base interactions energy: -77.882
where: short stacking energy: -71.313
Base-Backbone interact. energy: 0.313
local terms energy: -183.541059
where:
bonds (distance) C4'-P energy: -51.667
bonds (distance) P-C4' energy: -66.221
flat angles C4'-P-C4' energy: -45.452
flat angles P-C4'-P energy: -32.874
tors. eta vs tors. theta energy: 12.674
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: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1066.245275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.245275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.245275 (E_RNA)
where:
Base-Base interactions energy: -724.696
where: short stacking energy: -305.961
Base-Backbone interact. energy: -3.897
local terms energy: -337.652507
where:
bonds (distance) C4'-P energy: -63.089
bonds (distance) P-C4' energy: -76.373
flat angles C4'-P-C4' energy: -71.496
flat angles P-C4'-P energy: -42.967
tors. eta vs tors. theta energy: -83.727
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: 2, replica: 4
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1024.489931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.489931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.489931 (E_RNA)
where:
Base-Base interactions energy: -684.757
where: short stacking energy: -307.585
Base-Backbone interact. energy: -1.872
local terms energy: -337.860707
where:
bonds (distance) C4'-P energy: -63.742
bonds (distance) P-C4' energy: -66.450
flat angles C4'-P-C4' energy: -72.225
flat angles P-C4'-P energy: -50.134
tors. eta vs tors. theta energy: -85.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -980.734755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.734755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.734755 (E_RNA)
where:
Base-Base interactions energy: -662.522
where: short stacking energy: -303.430
Base-Backbone interact. energy: 0.030
local terms energy: -318.242560
where:
bonds (distance) C4'-P energy: -56.084
bonds (distance) P-C4' energy: -45.606
flat angles C4'-P-C4' energy: -73.371
flat angles P-C4'-P energy: -52.026
tors. eta vs tors. theta energy: -91.156
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: 360
Temperature: 1.050000
Total energy: -892.155809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.155809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.155809 (E_RNA)
where:
Base-Base interactions energy: -593.551
where: short stacking energy: -252.216
Base-Backbone interact. energy: -1.919
local terms energy: -296.686261
where:
bonds (distance) C4'-P energy: -56.624
bonds (distance) P-C4' energy: -59.425
flat angles C4'-P-C4' energy: -69.382
flat angles P-C4'-P energy: -40.505
tors. eta vs tors. theta energy: -70.750
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: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -890.863996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.863996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.863996 (E_RNA)
where:
Base-Base interactions energy: -622.824
where: short stacking energy: -241.190
Base-Backbone interact. energy: -2.664
local terms energy: -265.375952
where:
bonds (distance) C4'-P energy: -41.009
bonds (distance) P-C4' energy: -62.981
flat angles C4'-P-C4' energy: -63.294
flat angles P-C4'-P energy: -36.569
tors. eta vs tors. theta energy: -61.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -766.038521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.038521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.038521 (E_RNA)
where:
Base-Base interactions energy: -494.904
where: short stacking energy: -224.561
Base-Backbone interact. energy: -0.678
local terms energy: -270.456871
where:
bonds (distance) C4'-P energy: -47.869
bonds (distance) P-C4' energy: -59.751
flat angles C4'-P-C4' energy: -66.448
flat angles P-C4'-P energy: -40.607
tors. eta vs tors. theta energy: -55.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -612.747823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.747823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.747823 (E_RNA)
where:
Base-Base interactions energy: -369.383
where: short stacking energy: -188.589
Base-Backbone interact. energy: -1.319
local terms energy: -242.045956
where:
bonds (distance) C4'-P energy: -53.212
bonds (distance) P-C4' energy: -67.311
flat angles C4'-P-C4' energy: -55.390
flat angles P-C4'-P energy: -32.779
tors. eta vs tors. theta energy: -33.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -467.047631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.047631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.047631 (E_RNA)
where:
Base-Base interactions energy: -251.638
where: short stacking energy: -127.503
Base-Backbone interact. energy: 1.829
local terms energy: -217.238643
where:
bonds (distance) C4'-P energy: -51.602
bonds (distance) P-C4' energy: -60.437
flat angles C4'-P-C4' energy: -60.247
flat angles P-C4'-P energy: -34.759
tors. eta vs tors. theta energy: -10.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -277.738251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.738251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.738251 (E_RNA)
where:
Base-Base interactions energy: -94.875
where: short stacking energy: -92.669
Base-Backbone interact. energy: -0.361
local terms energy: -182.501996
where:
bonds (distance) C4'-P energy: -46.898
bonds (distance) P-C4' energy: -70.999
flat angles C4'-P-C4' energy: -34.405
flat angles P-C4'-P energy: -27.470
tors. eta vs tors. theta energy: -2.730
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: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -276.623144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.623144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.623144 (E_RNA)
where:
Base-Base interactions energy: -97.997
where: short stacking energy: -69.565
Base-Backbone interact. energy: 0.451
local terms energy: -179.077629
where:
bonds (distance) C4'-P energy: -56.942
bonds (distance) P-C4' energy: -59.938
flat angles C4'-P-C4' energy: -44.616
flat angles P-C4'-P energy: -20.885
tors. eta vs tors. theta energy: 3.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1076.569743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.569743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.569743 (E_RNA)
where:
Base-Base interactions energy: -757.900
where: short stacking energy: -319.299
Base-Backbone interact. energy: -2.687
local terms energy: -315.983378
where:
bonds (distance) C4'-P energy: -62.257
bonds (distance) P-C4' energy: -57.833
flat angles C4'-P-C4' energy: -72.763
flat angles P-C4'-P energy: -42.314
tors. eta vs tors. theta energy: -80.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1019.607671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.607671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.607671 (E_RNA)
where:
Base-Base interactions energy: -684.213
where: short stacking energy: -307.552
Base-Backbone interact. energy: -1.444
local terms energy: -333.950580
where:
bonds (distance) C4'-P energy: -57.448
bonds (distance) P-C4' energy: -64.941
flat angles C4'-P-C4' energy: -75.963
flat angles P-C4'-P energy: -46.539
tors. eta vs tors. theta energy: -89.059
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: 10
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1001.082484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.082484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.082484 (E_RNA)
where:
Base-Base interactions energy: -658.680
where: short stacking energy: -306.941
Base-Backbone interact. energy: -0.061
local terms energy: -342.341449
where:
bonds (distance) C4'-P energy: -62.415
bonds (distance) P-C4' energy: -63.102
flat angles C4'-P-C4' energy: -64.707
flat angles P-C4'-P energy: -55.236
tors. eta vs tors. theta energy: -96.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -928.194080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.194080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.194080 (E_RNA)
where:
Base-Base interactions energy: -628.263
where: short stacking energy: -263.619
Base-Backbone interact. energy: -1.296
local terms energy: -298.635317
where:
bonds (distance) C4'-P energy: -49.460
bonds (distance) P-C4' energy: -66.151
flat angles C4'-P-C4' energy: -62.809
flat angles P-C4'-P energy: -44.065
tors. eta vs tors. theta energy: -76.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -901.863296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.863296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.863296 (E_RNA)
where:
Base-Base interactions energy: -607.404
where: short stacking energy: -270.990
Base-Backbone interact. energy: -2.901
local terms energy: -291.557877
where:
bonds (distance) C4'-P energy: -51.039
bonds (distance) P-C4' energy: -51.211
flat angles C4'-P-C4' energy: -66.887
flat angles P-C4'-P energy: -47.507
tors. eta vs tors. theta energy: -74.915
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: 6, replica: 2
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -744.723781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.723781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.723781 (E_RNA)
where:
Base-Base interactions energy: -490.327
where: short stacking energy: -227.144
Base-Backbone interact. energy: 0.050
local terms energy: -254.446699
where:
bonds (distance) C4'-P energy: -54.183
bonds (distance) P-C4' energy: -51.939
flat angles C4'-P-C4' energy: -64.937
flat angles P-C4'-P energy: -36.510
tors. eta vs tors. theta energy: -46.878
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: 7, replica: 6
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -532.473345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.473345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.473345 (E_RNA)
where:
Base-Base interactions energy: -325.529
where: short stacking energy: -166.790
Base-Backbone interact. energy: 0.704
local terms energy: -207.649032
where:
bonds (distance) C4'-P energy: -42.057
bonds (distance) P-C4' energy: -60.512
flat angles C4'-P-C4' energy: -53.012
flat angles P-C4'-P energy: -26.011
tors. eta vs tors. theta energy: -26.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -532.816664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.816664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.816664 (E_RNA)
where:
Base-Base interactions energy: -313.033
where: short stacking energy: -135.629
Base-Backbone interact. energy: 0.059
local terms energy: -219.842266
where:
bonds (distance) C4'-P energy: -56.573
bonds (distance) P-C4' energy: -43.589
flat angles C4'-P-C4' energy: -48.970
flat angles P-C4'-P energy: -40.723
tors. eta vs tors. theta energy: -29.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -281.688550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.688550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.688550 (E_RNA)
where:
Base-Base interactions energy: -104.303
where: short stacking energy: -86.717
Base-Backbone interact. energy: 1.497
local terms energy: -178.882176
where:
bonds (distance) C4'-P energy: -53.869
bonds (distance) P-C4' energy: -52.062
flat angles C4'-P-C4' energy: -48.306
flat angles P-C4'-P energy: -29.490
tors. eta vs tors. theta energy: 4.845
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: 10, replica: 3
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -252.854045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.854045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.854045 (E_RNA)
where:
Base-Base interactions energy: -91.582
where: short stacking energy: -82.413
Base-Backbone interact. energy: -0.567
local terms energy: -160.705286
where:
bonds (distance) C4'-P energy: -38.644
bonds (distance) P-C4' energy: -62.500
flat angles C4'-P-C4' energy: -43.596
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: 4.030
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: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1059.222620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.222620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.222620 (E_RNA)
where:
Base-Base interactions energy: -717.819
where: short stacking energy: -299.797
Base-Backbone interact. energy: -1.252
local terms energy: -340.152045
where:
bonds (distance) C4'-P energy: -75.656
bonds (distance) P-C4' energy: -58.494
flat angles C4'-P-C4' energy: -72.048
flat angles P-C4'-P energy: -48.550
tors. eta vs tors. theta energy: -85.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1050.195941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.195941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.195941 (E_RNA)
where:
Base-Base interactions energy: -720.063
where: short stacking energy: -297.322
Base-Backbone interact. energy: -4.001
local terms energy: -326.131240
where:
bonds (distance) C4'-P energy: -61.074
bonds (distance) P-C4' energy: -62.645
flat angles C4'-P-C4' energy: -66.036
flat angles P-C4'-P energy: -43.383
tors. eta vs tors. theta energy: -92.993
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: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -956.258582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.258582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.258582 (E_RNA)
where:
Base-Base interactions energy: -637.490
where: short stacking energy: -265.566
Base-Backbone interact. energy: -2.729
local terms energy: -316.040425
where:
bonds (distance) C4'-P energy: -61.534
bonds (distance) P-C4' energy: -64.261
flat angles C4'-P-C4' energy: -67.750
flat angles P-C4'-P energy: -47.964
tors. eta vs tors. theta energy: -74.532
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: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -962.328676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.328676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.328676 (E_RNA)
where:
Base-Base interactions energy: -635.230
where: short stacking energy: -282.475
Base-Backbone interact. energy: -1.270
local terms energy: -325.828692
where:
bonds (distance) C4'-P energy: -56.266
bonds (distance) P-C4' energy: -61.836
flat angles C4'-P-C4' energy: -73.294
flat angles P-C4'-P energy: -46.444
tors. eta vs tors. theta energy: -87.988
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: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -836.266444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.266444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.266444 (E_RNA)
where:
Base-Base interactions energy: -551.558
where: short stacking energy: -230.098
Base-Backbone interact. energy: -2.393
local terms energy: -282.442552
where:
bonds (distance) C4'-P energy: -54.726
bonds (distance) P-C4' energy: -61.303
flat angles C4'-P-C4' energy: -62.877
flat angles P-C4'-P energy: -43.357
tors. eta vs tors. theta energy: -60.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.127 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -717.365392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.365392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.365392 (E_RNA)
where:
Base-Base interactions energy: -459.405
where: short stacking energy: -203.986
Base-Backbone interact. energy: 1.018
local terms energy: -258.978262
where:
bonds (distance) C4'-P energy: -55.061
bonds (distance) P-C4' energy: -58.319
flat angles C4'-P-C4' energy: -57.153
flat angles P-C4'-P energy: -46.320
tors. eta vs tors. theta energy: -42.125
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: 1
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -542.265351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.265351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.265351 (E_RNA)
where:
Base-Base interactions energy: -320.988
where: short stacking energy: -159.290
Base-Backbone interact. energy: -1.287
local terms energy: -219.990609
where:
bonds (distance) C4'-P energy: -55.587
bonds (distance) P-C4' energy: -57.439
flat angles C4'-P-C4' energy: -54.292
flat angles P-C4'-P energy: -24.981
tors. eta vs tors. theta energy: -27.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -549.507765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.507765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.507765 (E_RNA)
where:
Base-Base interactions energy: -307.756
where: short stacking energy: -146.222
Base-Backbone interact. energy: -1.244
local terms energy: -240.507288
where:
bonds (distance) C4'-P energy: -57.015
bonds (distance) P-C4' energy: -59.710
flat angles C4'-P-C4' energy: -70.767
flat angles P-C4'-P energy: -29.959
tors. eta vs tors. theta energy: -23.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -294.796205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.796205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.796205 (E_RNA)
where:
Base-Base interactions energy: -106.132
where: short stacking energy: -83.121
Base-Backbone interact. energy: 0.026
local terms energy: -188.690058
where:
bonds (distance) C4'-P energy: -49.452
bonds (distance) P-C4' energy: -65.779
flat angles C4'-P-C4' energy: -50.003
flat angles P-C4'-P energy: -24.148
tors. eta vs tors. theta energy: 0.691
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: 362
Temperature: 1.350000
Total energy: -276.536586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.536586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.536586 (E_RNA)
where:
Base-Base interactions energy: -89.935
where: short stacking energy: -81.720
Base-Backbone interact. energy: -0.773
local terms energy: -185.828695
where:
bonds (distance) C4'-P energy: -62.382
bonds (distance) P-C4' energy: -52.757
flat angles C4'-P-C4' energy: -43.850
flat angles P-C4'-P energy: -29.827
tors. eta vs tors. theta energy: 2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1054.359496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.359496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.359496 (E_RNA)
where:
Base-Base interactions energy: -709.141
where: short stacking energy: -327.415
Base-Backbone interact. energy: -2.432
local terms energy: -342.785974
where:
bonds (distance) C4'-P energy: -62.121
bonds (distance) P-C4' energy: -63.823
flat angles C4'-P-C4' energy: -71.238
flat angles P-C4'-P energy: -53.109
tors. eta vs tors. theta energy: -92.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1070.293357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.293357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.293357 (E_RNA)
where:
Base-Base interactions energy: -751.715
where: short stacking energy: -321.285
Base-Backbone interact. energy: 0.260
local terms energy: -318.838293
where:
bonds (distance) C4'-P energy: -59.312
bonds (distance) P-C4' energy: -53.218
flat angles C4'-P-C4' energy: -78.634
flat angles P-C4'-P energy: -38.697
tors. eta vs tors. theta energy: -88.977
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: 9
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -978.837438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.837438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.837438 (E_RNA)
where:
Base-Base interactions energy: -658.013
where: short stacking energy: -266.910
Base-Backbone interact. energy: -1.568
local terms energy: -319.256668
where:
bonds (distance) C4'-P energy: -51.954
bonds (distance) P-C4' energy: -68.637
flat angles C4'-P-C4' energy: -71.911
flat angles P-C4'-P energy: -48.594
tors. eta vs tors. theta energy: -78.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -943.627191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.627191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.627191 (E_RNA)
where:
Base-Base interactions energy: -633.679
where: short stacking energy: -284.431
Base-Backbone interact. energy: -1.420
local terms energy: -308.528087
where:
bonds (distance) C4'-P energy: -49.029
bonds (distance) P-C4' energy: -65.787
flat angles C4'-P-C4' energy: -69.320
flat angles P-C4'-P energy: -41.973
tors. eta vs tors. theta energy: -82.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -837.118989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.118989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.118989 (E_RNA)
where:
Base-Base interactions energy: -544.559
where: short stacking energy: -234.045
Base-Backbone interact. energy: 0.212
local terms energy: -292.771471
where:
bonds (distance) C4'-P energy: -60.402
bonds (distance) P-C4' energy: -58.017
flat angles C4'-P-C4' energy: -57.656
flat angles P-C4'-P energy: -53.923
tors. eta vs tors. theta energy: -62.773
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: 6, replica: 2
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -737.064848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.064848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.064848 (E_RNA)
where:
Base-Base interactions energy: -461.715
where: short stacking energy: -225.685
Base-Backbone interact. energy: 4.740
local terms energy: -280.089409
where:
bonds (distance) C4'-P energy: -56.493
bonds (distance) P-C4' energy: -67.423
flat angles C4'-P-C4' energy: -65.414
flat angles P-C4'-P energy: -41.735
tors. eta vs tors. theta energy: -49.025
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: 1
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -537.741994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.741994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.741994 (E_RNA)
where:
Base-Base interactions energy: -320.567
where: short stacking energy: -150.707
Base-Backbone interact. energy: 2.106
local terms energy: -219.281576
where:
bonds (distance) C4'-P energy: -51.878
bonds (distance) P-C4' energy: -60.079
flat angles C4'-P-C4' energy: -48.696
flat angles P-C4'-P energy: -42.627
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: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -561.728839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.728839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.728839 (E_RNA)
where:
Base-Base interactions energy: -335.106
where: short stacking energy: -173.197
Base-Backbone interact. energy: 0.053
local terms energy: -227.746800
where:
bonds (distance) C4'-P energy: -35.280
bonds (distance) P-C4' energy: -53.640
flat angles C4'-P-C4' energy: -57.221
flat angles P-C4'-P energy: -39.253
tors. eta vs tors. theta energy: -42.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.071 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -366.527331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.527331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.527331 (E_RNA)
where:
Base-Base interactions energy: -184.338
where: short stacking energy: -121.824
Base-Backbone interact. energy: -1.844
local terms energy: -180.345018
where:
bonds (distance) C4'-P energy: -44.590
bonds (distance) P-C4' energy: -60.239
flat angles C4'-P-C4' energy: -46.492
flat angles P-C4'-P energy: -24.994
tors. eta vs tors. theta energy: -4.029
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: 363
Temperature: 1.350000
Total energy: -311.320897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.320897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.320897 (E_RNA)
where:
Base-Base interactions energy: -144.894
where: short stacking energy: -116.656
Base-Backbone interact. energy: -0.305
local terms energy: -166.121255
where:
bonds (distance) C4'-P energy: -42.506
bonds (distance) P-C4' energy: -51.059
flat angles C4'-P-C4' energy: -42.172
flat angles P-C4'-P energy: -29.317
tors. eta vs tors. theta energy: -1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1074.812858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.812858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.812858 (E_RNA)
where:
Base-Base interactions energy: -727.100
where: short stacking energy: -305.864
Base-Backbone interact. energy: -1.787
local terms energy: -345.925670
where:
bonds (distance) C4'-P energy: -57.193
bonds (distance) P-C4' energy: -71.407
flat angles C4'-P-C4' energy: -76.558
flat angles P-C4'-P energy: -49.395
tors. eta vs tors. theta energy: -91.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1065.694753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.694753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.694753 (E_RNA)
where:
Base-Base interactions energy: -743.222
where: short stacking energy: -313.271
Base-Backbone interact. energy: -2.193
local terms energy: -320.279834
where:
bonds (distance) C4'-P energy: -63.272
bonds (distance) P-C4' energy: -64.768
flat angles C4'-P-C4' energy: -66.493
flat angles P-C4'-P energy: -46.978
tors. eta vs tors. theta energy: -78.769
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: 9
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -976.702396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.702396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.702396 (E_RNA)
where:
Base-Base interactions energy: -653.653
where: short stacking energy: -278.517
Base-Backbone interact. energy: -2.010
local terms energy: -321.039504
where:
bonds (distance) C4'-P energy: -65.372
bonds (distance) P-C4' energy: -57.925
flat angles C4'-P-C4' energy: -76.993
flat angles P-C4'-P energy: -45.476
tors. eta vs tors. theta energy: -75.274
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: 4, replica: 10
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -951.137638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.137638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.137638 (E_RNA)
where:
Base-Base interactions energy: -626.211
where: short stacking energy: -273.185
Base-Backbone interact. energy: -3.497
local terms energy: -321.429414
where:
bonds (distance) C4'-P energy: -61.663
bonds (distance) P-C4' energy: -57.136
flat angles C4'-P-C4' energy: -78.537
flat angles P-C4'-P energy: -42.648
tors. eta vs tors. theta energy: -81.445
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: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -860.629642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.629642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.629642 (E_RNA)
where:
Base-Base interactions energy: -560.592
where: short stacking energy: -269.822
Base-Backbone interact. energy: -0.466
local terms energy: -299.572044
where:
bonds (distance) C4'-P energy: -57.047
bonds (distance) P-C4' energy: -63.608
flat angles C4'-P-C4' energy: -62.187
flat angles P-C4'-P energy: -40.283
tors. eta vs tors. theta energy: -76.447
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: 6, replica: 2
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -796.291701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.291701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.291701 (E_RNA)
where:
Base-Base interactions energy: -534.385
where: short stacking energy: -224.775
Base-Backbone interact. energy: 0.800
local terms energy: -262.706913
where:
bonds (distance) C4'-P energy: -69.487
bonds (distance) P-C4' energy: -58.156
flat angles C4'-P-C4' energy: -59.050
flat angles P-C4'-P energy: -30.296
tors. eta vs tors. theta energy: -45.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -615.185561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.185561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.185561 (E_RNA)
where:
Base-Base interactions energy: -371.851
where: short stacking energy: -178.264
Base-Backbone interact. energy: 1.521
local terms energy: -244.855048
where:
bonds (distance) C4'-P energy: -55.294
bonds (distance) P-C4' energy: -60.111
flat angles C4'-P-C4' energy: -55.720
flat angles P-C4'-P energy: -46.643
tors. eta vs tors. theta energy: -27.087
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: 364
Temperature: 1.250000
Total energy: -566.070885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.070885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.070885 (E_RNA)
where:
Base-Base interactions energy: -333.848
where: short stacking energy: -161.646
Base-Backbone interact. energy: -1.090
local terms energy: -231.132781
where:
bonds (distance) C4'-P energy: -59.496
bonds (distance) P-C4' energy: -60.615
flat angles C4'-P-C4' energy: -50.558
flat angles P-C4'-P energy: -31.673
tors. eta vs tors. theta energy: -28.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -305.346760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.346760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.346760 (E_RNA)
where:
Base-Base interactions energy: -124.761
where: short stacking energy: -82.346
Base-Backbone interact. energy: -1.289
local terms energy: -179.297170
where:
bonds (distance) C4'-P energy: -39.024
bonds (distance) P-C4' energy: -56.000
flat angles C4'-P-C4' energy: -50.839
flat angles P-C4'-P energy: -36.383
tors. eta vs tors. theta energy: 2.949
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: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -313.820978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.820978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.820978 (E_RNA)
where:
Base-Base interactions energy: -143.434
where: short stacking energy: -91.286
Base-Backbone interact. energy: -1.275
local terms energy: -169.111524
where:
bonds (distance) C4'-P energy: -37.228
bonds (distance) P-C4' energy: -62.535
flat angles C4'-P-C4' energy: -48.029
flat angles P-C4'-P energy: -24.270
tors. eta vs tors. theta energy: 2.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1051.594803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.594803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.594803 (E_RNA)
where:
Base-Base interactions energy: -717.927
where: short stacking energy: -308.312
Base-Backbone interact. energy: -1.976
local terms energy: -331.692027
where:
bonds (distance) C4'-P energy: -66.783
bonds (distance) P-C4' energy: -63.734
flat angles C4'-P-C4' energy: -69.833
flat angles P-C4'-P energy: -42.533
tors. eta vs tors. theta energy: -88.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1075.986039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.986039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.986039 (E_RNA)
where:
Base-Base interactions energy: -752.453
where: short stacking energy: -300.001
Base-Backbone interact. energy: 0.924
local terms energy: -324.456994
where:
bonds (distance) C4'-P energy: -67.107
bonds (distance) P-C4' energy: -63.138
flat angles C4'-P-C4' energy: -66.168
flat angles P-C4'-P energy: -43.061
tors. eta vs tors. theta energy: -84.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -973.204711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.204711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.204711 (E_RNA)
where:
Base-Base interactions energy: -641.748
where: short stacking energy: -285.762
Base-Backbone interact. energy: -1.467
local terms energy: -329.989847
where:
bonds (distance) C4'-P energy: -60.544
bonds (distance) P-C4' energy: -68.569
flat angles C4'-P-C4' energy: -66.003
flat angles P-C4'-P energy: -50.073
tors. eta vs tors. theta energy: -84.801
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: 4, replica: 10
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -942.057701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.057701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.057701 (E_RNA)
where:
Base-Base interactions energy: -632.128
where: short stacking energy: -284.949
Base-Backbone interact. energy: -0.494
local terms energy: -309.436292
where:
bonds (distance) C4'-P energy: -63.702
bonds (distance) P-C4' energy: -59.876
flat angles C4'-P-C4' energy: -65.339
flat angles P-C4'-P energy: -45.967
tors. eta vs tors. theta energy: -74.552
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: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -819.750887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.750887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.750887 (E_RNA)
where:
Base-Base interactions energy: -543.560
where: short stacking energy: -243.909
Base-Backbone interact. energy: -2.094
local terms energy: -274.096328
where:
bonds (distance) C4'-P energy: -62.047
bonds (distance) P-C4' energy: -60.139
flat angles C4'-P-C4' energy: -53.275
flat angles P-C4'-P energy: -28.897
tors. eta vs tors. theta energy: -69.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -801.809102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.809102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.809102 (E_RNA)
where:
Base-Base interactions energy: -528.615
where: short stacking energy: -226.449
Base-Backbone interact. energy: -2.519
local terms energy: -270.675304
where:
bonds (distance) C4'-P energy: -54.029
bonds (distance) P-C4' energy: -53.387
flat angles C4'-P-C4' energy: -66.548
flat angles P-C4'-P energy: -41.452
tors. eta vs tors. theta energy: -55.259
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: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -556.573481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.573481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.573481 (E_RNA)
where:
Base-Base interactions energy: -333.937
where: short stacking energy: -146.861
Base-Backbone interact. energy: 0.314
local terms energy: -222.950345
where:
bonds (distance) C4'-P energy: -48.286
bonds (distance) P-C4' energy: -70.700
flat angles C4'-P-C4' energy: -47.933
flat angles P-C4'-P energy: -38.487
tors. eta vs tors. theta energy: -17.544
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: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -544.392967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.392967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.392967 (E_RNA)
where:
Base-Base interactions energy: -298.124
where: short stacking energy: -130.300
Base-Backbone interact. energy: 1.670
local terms energy: -247.939908
where:
bonds (distance) C4'-P energy: -56.914
bonds (distance) P-C4' energy: -66.959
flat angles C4'-P-C4' energy: -61.129
flat angles P-C4'-P energy: -44.778
tors. eta vs tors. theta energy: -18.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -318.834712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.834712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.834712 (E_RNA)
where:
Base-Base interactions energy: -140.874
where: short stacking energy: -77.665
Base-Backbone interact. energy: -1.154
local terms energy: -176.806466
where:
bonds (distance) C4'-P energy: -45.340
bonds (distance) P-C4' energy: -54.034
flat angles C4'-P-C4' energy: -53.331
flat angles P-C4'-P energy: -35.056
tors. eta vs tors. theta energy: 10.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -281.086219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.086219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.086219 (E_RNA)
where:
Base-Base interactions energy: -100.141
where: short stacking energy: -77.224
Base-Backbone interact. energy: -1.109
local terms energy: -179.836143
where:
bonds (distance) C4'-P energy: -47.030
bonds (distance) P-C4' energy: -63.095
flat angles C4'-P-C4' energy: -53.203
flat angles P-C4'-P energy: -19.971
tors. eta vs tors. theta energy: 3.462
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: 1, replica: 8
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1109.399462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.399462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.399462 (E_RNA)
where:
Base-Base interactions energy: -769.847
where: short stacking energy: -293.824
Base-Backbone interact. energy: -3.248
local terms energy: -336.303747
where:
bonds (distance) C4'-P energy: -68.680
bonds (distance) P-C4' energy: -68.490
flat angles C4'-P-C4' energy: -72.781
flat angles P-C4'-P energy: -42.592
tors. eta vs tors. theta energy: -83.761
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: 4
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1058.830594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.830594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.830594 (E_RNA)
where:
Base-Base interactions energy: -706.150
where: short stacking energy: -311.621
Base-Backbone interact. energy: -1.470
local terms energy: -351.210079
where:
bonds (distance) C4'-P energy: -68.533
bonds (distance) P-C4' energy: -70.362
flat angles C4'-P-C4' energy: -75.412
flat angles P-C4'-P energy: -45.320
tors. eta vs tors. theta energy: -91.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -973.167981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.167981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.167981 (E_RNA)
where:
Base-Base interactions energy: -672.529
where: short stacking energy: -271.438
Base-Backbone interact. energy: -3.602
local terms energy: -297.036886
where:
bonds (distance) C4'-P energy: -50.578
bonds (distance) P-C4' energy: -60.070
flat angles C4'-P-C4' energy: -59.864
flat angles P-C4'-P energy: -42.816
tors. eta vs tors. theta energy: -83.709
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: 10
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -930.589164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.589164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.589164 (E_RNA)
where:
Base-Base interactions energy: -625.239
where: short stacking energy: -267.025
Base-Backbone interact. energy: -0.566
local terms energy: -304.784751
where:
bonds (distance) C4'-P energy: -63.356
bonds (distance) P-C4' energy: -52.842
flat angles C4'-P-C4' energy: -66.335
flat angles P-C4'-P energy: -46.347
tors. eta vs tors. theta energy: -75.904
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: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -833.438103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.438103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.438103 (E_RNA)
where:
Base-Base interactions energy: -534.134
where: short stacking energy: -254.899
Base-Backbone interact. energy: -0.529
local terms energy: -298.774768
where:
bonds (distance) C4'-P energy: -57.716
bonds (distance) P-C4' energy: -59.677
flat angles C4'-P-C4' energy: -61.492
flat angles P-C4'-P energy: -47.388
tors. eta vs tors. theta energy: -72.503
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: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -800.096199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.096199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.096199 (E_RNA)
where:
Base-Base interactions energy: -519.952
where: short stacking energy: -235.722
Base-Backbone interact. energy: -1.097
local terms energy: -279.047797
where:
bonds (distance) C4'-P energy: -60.093
bonds (distance) P-C4' energy: -58.086
flat angles C4'-P-C4' energy: -65.285
flat angles P-C4'-P energy: -33.473
tors. eta vs tors. theta energy: -62.111
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: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -584.536868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.536868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.536868 (E_RNA)
where:
Base-Base interactions energy: -364.559
where: short stacking energy: -182.607
Base-Backbone interact. energy: 3.764
local terms energy: -223.741849
where:
bonds (distance) C4'-P energy: -63.551
bonds (distance) P-C4' energy: -51.664
flat angles C4'-P-C4' energy: -53.548
flat angles P-C4'-P energy: -25.504
tors. eta vs tors. theta energy: -29.475
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: 366
Temperature: 1.250000
Total energy: -496.174115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.174115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.174115 (E_RNA)
where:
Base-Base interactions energy: -307.139
where: short stacking energy: -149.288
Base-Backbone interact. energy: 2.037
local terms energy: -191.071865
where:
bonds (distance) C4'-P energy: -42.061
bonds (distance) P-C4' energy: -54.190
flat angles C4'-P-C4' energy: -44.764
flat angles P-C4'-P energy: -30.807
tors. eta vs tors. theta energy: -19.250
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: 366
Temperature: 1.300000
Total energy: -383.750283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.750283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.750283 (E_RNA)
where:
Base-Base interactions energy: -176.253
where: short stacking energy: -102.131
Base-Backbone interact. energy: -0.503
local terms energy: -206.994299
where:
bonds (distance) C4'-P energy: -55.789
bonds (distance) P-C4' energy: -58.585
flat angles C4'-P-C4' energy: -56.644
flat angles P-C4'-P energy: -32.044
tors. eta vs tors. theta energy: -3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -250.562304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.562304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.562304 (E_RNA)
where:
Base-Base interactions energy: -88.747
where: short stacking energy: -77.601
Base-Backbone interact. energy: 2.283
local terms energy: -164.098445
where:
bonds (distance) C4'-P energy: -46.758
bonds (distance) P-C4' energy: -52.690
flat angles C4'-P-C4' energy: -55.835
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: 8.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1080.541085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.541085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.541085 (E_RNA)
where:
Base-Base interactions energy: -753.326
where: short stacking energy: -311.962
Base-Backbone interact. energy: -0.845
local terms energy: -326.369625
where:
bonds (distance) C4'-P energy: -58.807
bonds (distance) P-C4' energy: -64.107
flat angles C4'-P-C4' energy: -68.925
flat angles P-C4'-P energy: -47.231
tors. eta vs tors. theta energy: -87.298
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: 4
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1043.963494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.963494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.963494 (E_RNA)
where:
Base-Base interactions energy: -724.241
where: short stacking energy: -313.061
Base-Backbone interact. energy: -2.047
local terms energy: -317.675441
where:
bonds (distance) C4'-P energy: -56.945
bonds (distance) P-C4' energy: -56.524
flat angles C4'-P-C4' energy: -68.537
flat angles P-C4'-P energy: -48.108
tors. eta vs tors. theta energy: -87.562
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: 9
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -978.049145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.049145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.049145 (E_RNA)
where:
Base-Base interactions energy: -658.393
where: short stacking energy: -287.921
Base-Backbone interact. energy: -4.543
local terms energy: -315.112579
where:
bonds (distance) C4'-P energy: -48.849
bonds (distance) P-C4' energy: -59.810
flat angles C4'-P-C4' energy: -69.464
flat angles P-C4'-P energy: -49.497
tors. eta vs tors. theta energy: -87.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -942.471797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.471797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.471797 (E_RNA)
where:
Base-Base interactions energy: -631.114
where: short stacking energy: -274.634
Base-Backbone interact. energy: -1.751
local terms energy: -309.605914
where:
bonds (distance) C4'-P energy: -63.411
bonds (distance) P-C4' energy: -58.540
flat angles C4'-P-C4' energy: -59.366
flat angles P-C4'-P energy: -49.121
tors. eta vs tors. theta energy: -79.169
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: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -851.413250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.413250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.413250 (E_RNA)
where:
Base-Base interactions energy: -553.501
where: short stacking energy: -249.864
Base-Backbone interact. energy: -0.143
local terms energy: -297.769459
where:
bonds (distance) C4'-P energy: -59.890
bonds (distance) P-C4' energy: -59.618
flat angles C4'-P-C4' energy: -63.634
flat angles P-C4'-P energy: -44.128
tors. eta vs tors. theta energy: -70.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -774.860223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.860223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.860223 (E_RNA)
where:
Base-Base interactions energy: -491.162
where: short stacking energy: -237.579
Base-Backbone interact. energy: -1.404
local terms energy: -282.294175
where:
bonds (distance) C4'-P energy: -52.104
bonds (distance) P-C4' energy: -57.694
flat angles C4'-P-C4' energy: -65.730
flat angles P-C4'-P energy: -42.442
tors. eta vs tors. theta energy: -64.325
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: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -551.393960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.393960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.393960 (E_RNA)
where:
Base-Base interactions energy: -330.442
where: short stacking energy: -142.789
Base-Backbone interact. energy: -1.140
local terms energy: -219.812068
where:
bonds (distance) C4'-P energy: -55.635
bonds (distance) P-C4' energy: -55.426
flat angles C4'-P-C4' energy: -56.535
flat angles P-C4'-P energy: -32.877
tors. eta vs tors. theta energy: -19.339
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: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -396.218073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.218073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.218073 (E_RNA)
where:
Base-Base interactions energy: -191.281
where: short stacking energy: -114.280
Base-Backbone interact. energy: -1.682
local terms energy: -203.255363
where:
bonds (distance) C4'-P energy: -59.454
bonds (distance) P-C4' energy: -60.600
flat angles C4'-P-C4' energy: -48.765
flat angles P-C4'-P energy: -28.154
tors. eta vs tors. theta energy: -6.283
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: 367
Temperature: 1.300000
Total energy: -440.088938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.088938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.088938 (E_RNA)
where:
Base-Base interactions energy: -223.528
where: short stacking energy: -98.822
Base-Backbone interact. energy: -1.387
local terms energy: -215.174185
where:
bonds (distance) C4'-P energy: -60.503
bonds (distance) P-C4' energy: -61.378
flat angles C4'-P-C4' energy: -47.354
flat angles P-C4'-P energy: -40.582
tors. eta vs tors. theta energy: -5.357
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: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -257.503181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.503181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.503181 (E_RNA)
where:
Base-Base interactions energy: -111.865
where: short stacking energy: -80.879
Base-Backbone interact. energy: 0.546
local terms energy: -146.184486
where:
bonds (distance) C4'-P energy: -48.365
bonds (distance) P-C4' energy: -49.153
flat angles C4'-P-C4' energy: -27.623
flat angles P-C4'-P energy: -25.661
tors. eta vs tors. theta energy: 4.617
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: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1077.577555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.577555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.577555 (E_RNA)
where:
Base-Base interactions energy: -723.263
where: short stacking energy: -341.199
Base-Backbone interact. energy: -0.556
local terms energy: -354.115383
where:
bonds (distance) C4'-P energy: -58.714
bonds (distance) P-C4' energy: -70.739
flat angles C4'-P-C4' energy: -74.010
flat angles P-C4'-P energy: -57.088
tors. eta vs tors. theta energy: -93.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.357 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1037.930975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.930975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.930975 (E_RNA)
where:
Base-Base interactions energy: -720.697
where: short stacking energy: -313.178
Base-Backbone interact. energy: -1.341
local terms energy: -315.892582
where:
bonds (distance) C4'-P energy: -57.934
bonds (distance) P-C4' energy: -59.412
flat angles C4'-P-C4' energy: -68.557
flat angles P-C4'-P energy: -49.219
tors. eta vs tors. theta energy: -80.771
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: 9
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -994.897251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.897251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.897251 (E_RNA)
where:
Base-Base interactions energy: -668.548
where: short stacking energy: -272.762
Base-Backbone interact. energy: -0.988
local terms energy: -325.361127
where:
bonds (distance) C4'-P energy: -67.722
bonds (distance) P-C4' energy: -65.020
flat angles C4'-P-C4' energy: -68.633
flat angles P-C4'-P energy: -49.160
tors. eta vs tors. theta energy: -74.825
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: 368
Temperature: 1.050000
Total energy: -994.614421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.614421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.614421 (E_RNA)
where:
Base-Base interactions energy: -687.762
where: short stacking energy: -308.777
Base-Backbone interact. energy: -0.898
local terms energy: -305.954117
where:
bonds (distance) C4'-P energy: -53.518
bonds (distance) P-C4' energy: -59.648
flat angles C4'-P-C4' energy: -65.079
flat angles P-C4'-P energy: -39.761
tors. eta vs tors. theta energy: -87.948
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: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -847.873055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.873055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.873055 (E_RNA)
where:
Base-Base interactions energy: -557.732
where: short stacking energy: -249.401
Base-Backbone interact. energy: -1.469
local terms energy: -288.672823
where:
bonds (distance) C4'-P energy: -46.234
bonds (distance) P-C4' energy: -56.182
flat angles C4'-P-C4' energy: -71.342
flat angles P-C4'-P energy: -42.647
tors. eta vs tors. theta energy: -72.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -804.178612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.178612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.178612 (E_RNA)
where:
Base-Base interactions energy: -537.231
where: short stacking energy: -238.313
Base-Backbone interact. energy: -0.407
local terms energy: -266.540140
where:
bonds (distance) C4'-P energy: -61.309
bonds (distance) P-C4' energy: -53.035
flat angles C4'-P-C4' energy: -52.222
flat angles P-C4'-P energy: -38.850
tors. eta vs tors. theta energy: -61.124
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: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -635.730083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.730083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.730083 (E_RNA)
where:
Base-Base interactions energy: -408.165
where: short stacking energy: -182.826
Base-Backbone interact. energy: -0.301
local terms energy: -227.263773
where:
bonds (distance) C4'-P energy: -55.966
bonds (distance) P-C4' energy: -56.382
flat angles C4'-P-C4' energy: -52.668
flat angles P-C4'-P energy: -32.072
tors. eta vs tors. theta energy: -30.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -367.108764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.108764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.108764 (E_RNA)
where:
Base-Base interactions energy: -199.676
where: short stacking energy: -121.373
Base-Backbone interact. energy: -0.170
local terms energy: -167.262981
where:
bonds (distance) C4'-P energy: -61.215
bonds (distance) P-C4' energy: -51.202
flat angles C4'-P-C4' energy: -33.766
flat angles P-C4'-P energy: -28.167
tors. eta vs tors. theta energy: 7.088
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: 9, replica: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -282.225301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.225301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.225301 (E_RNA)
where:
Base-Base interactions energy: -98.445
where: short stacking energy: -79.497
Base-Backbone interact. energy: 1.194
local terms energy: -184.974030
where:
bonds (distance) C4'-P energy: -59.185
bonds (distance) P-C4' energy: -62.191
flat angles C4'-P-C4' energy: -50.782
flat angles P-C4'-P energy: -27.205
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: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -381.386098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.386098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.386098 (E_RNA)
where:
Base-Base interactions energy: -201.659
where: short stacking energy: -106.385
Base-Backbone interact. energy: -1.908
local terms energy: -177.819277
where:
bonds (distance) C4'-P energy: -44.152
bonds (distance) P-C4' energy: -52.980
flat angles C4'-P-C4' energy: -41.834
flat angles P-C4'-P energy: -29.917
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1069.631520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.631520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.631520 (E_RNA)
where:
Base-Base interactions energy: -708.136
where: short stacking energy: -323.405
Base-Backbone interact. energy: -0.944
local terms energy: -360.551951
where:
bonds (distance) C4'-P energy: -64.048
bonds (distance) P-C4' energy: -71.592
flat angles C4'-P-C4' energy: -75.917
flat angles P-C4'-P energy: -49.834
tors. eta vs tors. theta energy: -99.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1031.797148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.797148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.797148 (E_RNA)
where:
Base-Base interactions energy: -713.102
where: short stacking energy: -309.581
Base-Backbone interact. energy: -0.552
local terms energy: -318.143579
where:
bonds (distance) C4'-P energy: -64.577
bonds (distance) P-C4' energy: -67.176
flat angles C4'-P-C4' energy: -68.720
flat angles P-C4'-P energy: -40.660
tors. eta vs tors. theta energy: -77.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -962.716230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.716230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.716230 (E_RNA)
where:
Base-Base interactions energy: -657.122
where: short stacking energy: -255.484
Base-Backbone interact. energy: -1.907
local terms energy: -303.687152
where:
bonds (distance) C4'-P energy: -58.179
bonds (distance) P-C4' energy: -70.107
flat angles C4'-P-C4' energy: -65.133
flat angles P-C4'-P energy: -46.930
tors. eta vs tors. theta energy: -63.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -961.314473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.314473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.314473 (E_RNA)
where:
Base-Base interactions energy: -643.344
where: short stacking energy: -308.351
Base-Backbone interact. energy: -0.585
local terms energy: -317.385657
where:
bonds (distance) C4'-P energy: -56.722
bonds (distance) P-C4' energy: -55.258
flat angles C4'-P-C4' energy: -68.537
flat angles P-C4'-P energy: -44.627
tors. eta vs tors. theta energy: -92.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -820.928450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.928450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.928450 (E_RNA)
where:
Base-Base interactions energy: -543.960
where: short stacking energy: -232.561
Base-Backbone interact. energy: -0.942
local terms energy: -276.026682
where:
bonds (distance) C4'-P energy: -53.744
bonds (distance) P-C4' energy: -60.882
flat angles C4'-P-C4' energy: -63.351
flat angles P-C4'-P energy: -45.143
tors. eta vs tors. theta energy: -52.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -796.398720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.398720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.398720 (E_RNA)
where:
Base-Base interactions energy: -511.071
where: short stacking energy: -235.218
Base-Backbone interact. energy: -1.000
local terms energy: -284.327553
where:
bonds (distance) C4'-P energy: -49.724
bonds (distance) P-C4' energy: -57.308
flat angles C4'-P-C4' energy: -67.939
flat angles P-C4'-P energy: -47.859
tors. eta vs tors. theta energy: -61.498
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: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -627.222452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.222452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.222452 (E_RNA)
where:
Base-Base interactions energy: -392.129
where: short stacking energy: -164.935
Base-Backbone interact. energy: -2.408
local terms energy: -232.685545
where:
bonds (distance) C4'-P energy: -58.659
bonds (distance) P-C4' energy: -60.563
flat angles C4'-P-C4' energy: -48.112
flat angles P-C4'-P energy: -32.877
tors. eta vs tors. theta energy: -32.475
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: 7
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -395.238100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.238100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.238100 (E_RNA)
where:
Base-Base interactions energy: -187.673
where: short stacking energy: -135.844
Base-Backbone interact. energy: 1.419
local terms energy: -208.984526
where:
bonds (distance) C4'-P energy: -66.542
bonds (distance) P-C4' energy: -55.745
flat angles C4'-P-C4' energy: -44.153
flat angles P-C4'-P energy: -28.783
tors. eta vs tors. theta energy: -13.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -342.658136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.658136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.658136 (E_RNA)
where:
Base-Base interactions energy: -143.705
where: short stacking energy: -86.049
Base-Backbone interact. energy: -1.620
local terms energy: -197.333206
where:
bonds (distance) C4'-P energy: -52.462
bonds (distance) P-C4' energy: -60.782
flat angles C4'-P-C4' energy: -42.769
flat angles P-C4'-P energy: -33.573
tors. eta vs tors. theta energy: -7.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -350.772224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.772224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.772224 (E_RNA)
where:
Base-Base interactions energy: -158.583
where: short stacking energy: -87.218
Base-Backbone interact. energy: -0.427
local terms energy: -191.762100
where:
bonds (distance) C4'-P energy: -59.968
bonds (distance) P-C4' energy: -52.979
flat angles C4'-P-C4' energy: -48.944
flat angles P-C4'-P energy: -26.001
tors. eta vs tors. theta energy: -3.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1041.878945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.878945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.878945 (E_RNA)
where:
Base-Base interactions energy: -714.244
where: short stacking energy: -294.962
Base-Backbone interact. energy: -0.028
local terms energy: -327.607389
where:
bonds (distance) C4'-P energy: -63.640
bonds (distance) P-C4' energy: -64.035
flat angles C4'-P-C4' energy: -73.439
flat angles P-C4'-P energy: -47.361
tors. eta vs tors. theta energy: -79.132
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: 2, replica: 4
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1030.278736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.278736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.278736 (E_RNA)
where:
Base-Base interactions energy: -705.164
where: short stacking energy: -313.144
Base-Backbone interact. energy: -1.294
local terms energy: -323.820527
where:
bonds (distance) C4'-P energy: -54.528
bonds (distance) P-C4' energy: -65.662
flat angles C4'-P-C4' energy: -73.785
flat angles P-C4'-P energy: -43.718
tors. eta vs tors. theta energy: -86.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -966.027442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.027442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.027442 (E_RNA)
where:
Base-Base interactions energy: -656.958
where: short stacking energy: -256.657
Base-Backbone interact. energy: -3.474
local terms energy: -305.594822
where:
bonds (distance) C4'-P energy: -61.212
bonds (distance) P-C4' energy: -57.964
flat angles C4'-P-C4' energy: -69.774
flat angles P-C4'-P energy: -49.484
tors. eta vs tors. theta energy: -67.161
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: 10
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -947.505009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.505009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.505009 (E_RNA)
where:
Base-Base interactions energy: -630.563
where: short stacking energy: -287.735
Base-Backbone interact. energy: -0.907
local terms energy: -316.035516
where:
bonds (distance) C4'-P energy: -49.481
bonds (distance) P-C4' energy: -68.638
flat angles C4'-P-C4' energy: -75.048
flat angles P-C4'-P energy: -44.503
tors. eta vs tors. theta energy: -78.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -833.603002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.603002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.603002 (E_RNA)
where:
Base-Base interactions energy: -562.725
where: short stacking energy: -219.500
Base-Backbone interact. energy: -0.788
local terms energy: -270.168933
where:
bonds (distance) C4'-P energy: -49.502
bonds (distance) P-C4' energy: -63.376
flat angles C4'-P-C4' energy: -49.225
flat angles P-C4'-P energy: -52.575
tors. eta vs tors. theta energy: -55.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.079 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -800.530752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.530752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.530752 (E_RNA)
where:
Base-Base interactions energy: -522.664
where: short stacking energy: -245.731
Base-Backbone interact. energy: -0.389
local terms energy: -277.478091
where:
bonds (distance) C4'-P energy: -63.404
bonds (distance) P-C4' energy: -58.782
flat angles C4'-P-C4' energy: -57.720
flat angles P-C4'-P energy: -41.380
tors. eta vs tors. theta energy: -56.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -572.403234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.403234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.403234 (E_RNA)
where:
Base-Base interactions energy: -358.109
where: short stacking energy: -174.172
Base-Backbone interact. energy: -1.239
local terms energy: -213.055782
where:
bonds (distance) C4'-P energy: -40.674
bonds (distance) P-C4' energy: -61.096
flat angles C4'-P-C4' energy: -48.917
flat angles P-C4'-P energy: -38.308
tors. eta vs tors. theta energy: -24.060
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: 8, replica: 7
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -376.989139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.989139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.989139 (E_RNA)
where:
Base-Base interactions energy: -168.582
where: short stacking energy: -117.241
Base-Backbone interact. energy: -1.095
local terms energy: -207.312653
where:
bonds (distance) C4'-P energy: -45.860
bonds (distance) P-C4' energy: -61.455
flat angles C4'-P-C4' energy: -56.271
flat angles P-C4'-P energy: -23.777
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: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -384.060725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.060725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.060725 (E_RNA)
where:
Base-Base interactions energy: -191.609
where: short stacking energy: -115.974
Base-Backbone interact. energy: 0.165
local terms energy: -192.616637
where:
bonds (distance) C4'-P energy: -51.456
bonds (distance) P-C4' energy: -55.430
flat angles C4'-P-C4' energy: -47.519
flat angles P-C4'-P energy: -22.312
tors. eta vs tors. theta energy: -15.900
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: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -325.638981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.638981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.638981 (E_RNA)
where:
Base-Base interactions energy: -146.722
where: short stacking energy: -84.519
Base-Backbone interact. energy: 0.878
local terms energy: -179.795074
where:
bonds (distance) C4'-P energy: -39.313
bonds (distance) P-C4' energy: -60.396
flat angles C4'-P-C4' energy: -56.883
flat angles P-C4'-P energy: -25.680
tors. eta vs tors. theta energy: 2.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1063.338388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.338388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.338388 (E_RNA)
where:
Base-Base interactions energy: -727.660
where: short stacking energy: -316.618
Base-Backbone interact. energy: -1.138
local terms energy: -334.539583
where:
bonds (distance) C4'-P energy: -66.285
bonds (distance) P-C4' energy: -69.003
flat angles C4'-P-C4' energy: -73.260
flat angles P-C4'-P energy: -50.372
tors. eta vs tors. theta energy: -75.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1005.966709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.966709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.966709 (E_RNA)
where:
Base-Base interactions energy: -692.208
where: short stacking energy: -286.061
Base-Backbone interact. energy: 0.574
local terms energy: -314.332501
where:
bonds (distance) C4'-P energy: -61.446
bonds (distance) P-C4' energy: -56.913
flat angles C4'-P-C4' energy: -70.924
flat angles P-C4'-P energy: -44.945
tors. eta vs tors. theta energy: -80.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1015.682743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.682743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.682743 (E_RNA)
where:
Base-Base interactions energy: -702.294
where: short stacking energy: -308.512
Base-Backbone interact. energy: -0.400
local terms energy: -312.988808
where:
bonds (distance) C4'-P energy: -57.689
bonds (distance) P-C4' energy: -56.681
flat angles C4'-P-C4' energy: -66.813
flat angles P-C4'-P energy: -45.875
tors. eta vs tors. theta energy: -85.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -962.083134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.083134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.083134 (E_RNA)
where:
Base-Base interactions energy: -632.226
where: short stacking energy: -287.040
Base-Backbone interact. energy: -0.082
local terms energy: -329.775461
where:
bonds (distance) C4'-P energy: -63.714
bonds (distance) P-C4' energy: -71.438
flat angles C4'-P-C4' energy: -65.760
flat angles P-C4'-P energy: -42.807
tors. eta vs tors. theta energy: -86.057
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: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -848.174333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.174333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.174333 (E_RNA)
where:
Base-Base interactions energy: -560.325
where: short stacking energy: -248.815
Base-Backbone interact. energy: -1.389
local terms energy: -286.460222
where:
bonds (distance) C4'-P energy: -60.860
bonds (distance) P-C4' energy: -54.053
flat angles C4'-P-C4' energy: -65.825
flat angles P-C4'-P energy: -37.732
tors. eta vs tors. theta energy: -67.990
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: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -806.808974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.808974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.808974 (E_RNA)
where:
Base-Base interactions energy: -540.376
where: short stacking energy: -251.537
Base-Backbone interact. energy: -1.197
local terms energy: -265.236212
where:
bonds (distance) C4'-P energy: -59.785
bonds (distance) P-C4' energy: -54.016
flat angles C4'-P-C4' energy: -60.238
flat angles P-C4'-P energy: -29.806
tors. eta vs tors. theta energy: -61.391
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: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -598.293368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.293368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.293368 (E_RNA)
where:
Base-Base interactions energy: -384.161
where: short stacking energy: -171.747
Base-Backbone interact. energy: -0.999
local terms energy: -213.133771
where:
bonds (distance) C4'-P energy: -50.643
bonds (distance) P-C4' energy: -52.869
flat angles C4'-P-C4' energy: -53.151
flat angles P-C4'-P energy: -27.011
tors. eta vs tors. theta energy: -29.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -371.964546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.964546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.964546 (E_RNA)
where:
Base-Base interactions energy: -157.823
where: short stacking energy: -110.042
Base-Backbone interact. energy: -1.268
local terms energy: -212.873361
where:
bonds (distance) C4'-P energy: -58.028
bonds (distance) P-C4' energy: -70.311
flat angles C4'-P-C4' energy: -46.157
flat angles P-C4'-P energy: -24.867
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -399.542583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.542583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.542583 (E_RNA)
where:
Base-Base interactions energy: -206.682
where: short stacking energy: -110.964
Base-Backbone interact. energy: -1.044
local terms energy: -191.815887
where:
bonds (distance) C4'-P energy: -48.984
bonds (distance) P-C4' energy: -51.162
flat angles C4'-P-C4' energy: -60.238
flat angles P-C4'-P energy: -29.964
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -324.374853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.374853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.374853 (E_RNA)
where:
Base-Base interactions energy: -139.506
where: short stacking energy: -106.106
Base-Backbone interact. energy: -0.791
local terms energy: -184.077643
where:
bonds (distance) C4'-P energy: -52.181
bonds (distance) P-C4' energy: -55.490
flat angles C4'-P-C4' energy: -43.769
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -11.390
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: 8
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1068.569726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.569726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.569726 (E_RNA)
where:
Base-Base interactions energy: -748.198
where: short stacking energy: -289.206
Base-Backbone interact. energy: -2.521
local terms energy: -317.850298
where:
bonds (distance) C4'-P energy: -62.048
bonds (distance) P-C4' energy: -63.152
flat angles C4'-P-C4' energy: -74.338
flat angles P-C4'-P energy: -43.790
tors. eta vs tors. theta energy: -74.523
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: 9
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -985.180766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.180766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.180766 (E_RNA)
where:
Base-Base interactions energy: -650.354
where: short stacking energy: -271.900
Base-Backbone interact. energy: -3.308
local terms energy: -331.518596
where:
bonds (distance) C4'-P energy: -61.860
bonds (distance) P-C4' energy: -65.834
flat angles C4'-P-C4' energy: -74.751
flat angles P-C4'-P energy: -50.304
tors. eta vs tors. theta energy: -78.771
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: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1005.303846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.303846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.303846 (E_RNA)
where:
Base-Base interactions energy: -693.825
where: short stacking energy: -298.664
Base-Backbone interact. energy: -2.366
local terms energy: -309.112560
where:
bonds (distance) C4'-P energy: -58.397
bonds (distance) P-C4' energy: -48.250
flat angles C4'-P-C4' energy: -67.750
flat angles P-C4'-P energy: -39.347
tors. eta vs tors. theta energy: -95.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -947.650225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.650225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.650225 (E_RNA)
where:
Base-Base interactions energy: -636.082
where: short stacking energy: -285.133
Base-Backbone interact. energy: -0.909
local terms energy: -310.659374
where:
bonds (distance) C4'-P energy: -54.465
bonds (distance) P-C4' energy: -67.446
flat angles C4'-P-C4' energy: -71.049
flat angles P-C4'-P energy: -33.737
tors. eta vs tors. theta energy: -83.963
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: 5, replica: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -823.148529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.148529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.148529 (E_RNA)
where:
Base-Base interactions energy: -535.404
where: short stacking energy: -222.820
Base-Backbone interact. energy: -3.086
local terms energy: -285.048529
where:
bonds (distance) C4'-P energy: -58.103
bonds (distance) P-C4' energy: -68.042
flat angles C4'-P-C4' energy: -61.195
flat angles P-C4'-P energy: -39.821
tors. eta vs tors. theta energy: -57.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.390 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -846.387892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.387892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.387892 (E_RNA)
where:
Base-Base interactions energy: -578.508
where: short stacking energy: -234.615
Base-Backbone interact. energy: -1.682
local terms energy: -266.197686
where:
bonds (distance) C4'-P energy: -45.643
bonds (distance) P-C4' energy: -51.774
flat angles C4'-P-C4' energy: -62.320
flat angles P-C4'-P energy: -32.369
tors. eta vs tors. theta energy: -74.092
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: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -520.156905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.156905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.156905 (E_RNA)
where:
Base-Base interactions energy: -283.693
where: short stacking energy: -138.218
Base-Backbone interact. energy: 1.940
local terms energy: -238.403500
where:
bonds (distance) C4'-P energy: -49.133
bonds (distance) P-C4' energy: -72.185
flat angles C4'-P-C4' energy: -61.120
flat angles P-C4'-P energy: -48.324
tors. eta vs tors. theta energy: -7.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -364.182208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.182208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.182208 (E_RNA)
where:
Base-Base interactions energy: -173.149
where: short stacking energy: -108.976
Base-Backbone interact. energy: -0.902
local terms energy: -190.131550
where:
bonds (distance) C4'-P energy: -39.969
bonds (distance) P-C4' energy: -52.268
flat angles C4'-P-C4' energy: -58.711
flat angles P-C4'-P energy: -34.485
tors. eta vs tors. theta energy: -4.698
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: 9, replica: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -348.572176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.572176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.572176 (E_RNA)
where:
Base-Base interactions energy: -173.628
where: short stacking energy: -100.431
Base-Backbone interact. energy: -0.695
local terms energy: -174.249046
where:
bonds (distance) C4'-P energy: -54.201
bonds (distance) P-C4' energy: -49.617
flat angles C4'-P-C4' energy: -50.477
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: 0.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -324.377137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.377137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.377137 (E_RNA)
where:
Base-Base interactions energy: -158.605
where: short stacking energy: -107.952
Base-Backbone interact. energy: 0.930
local terms energy: -166.702235
where:
bonds (distance) C4'-P energy: -33.210
bonds (distance) P-C4' energy: -57.680
flat angles C4'-P-C4' energy: -47.777
flat angles P-C4'-P energy: -24.292
tors. eta vs tors. theta energy: -3.743
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: 8
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1076.958602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.958602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.958602 (E_RNA)
where:
Base-Base interactions energy: -769.558
where: short stacking energy: -301.369
Base-Backbone interact. energy: -0.385
local terms energy: -307.015840
where:
bonds (distance) C4'-P energy: -58.877
bonds (distance) P-C4' energy: -57.446
flat angles C4'-P-C4' energy: -69.112
flat angles P-C4'-P energy: -41.685
tors. eta vs tors. theta energy: -79.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1027.803018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.803018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.803018 (E_RNA)
where:
Base-Base interactions energy: -695.748
where: short stacking energy: -292.016
Base-Backbone interact. energy: -1.059
local terms energy: -330.995587
where:
bonds (distance) C4'-P energy: -55.073
bonds (distance) P-C4' energy: -63.537
flat angles C4'-P-C4' energy: -81.004
flat angles P-C4'-P energy: -50.643
tors. eta vs tors. theta energy: -80.739
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: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -980.884972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.884972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.884972 (E_RNA)
where:
Base-Base interactions energy: -649.423
where: short stacking energy: -291.253
Base-Backbone interact. energy: -2.514
local terms energy: -328.948137
where:
bonds (distance) C4'-P energy: -63.395
bonds (distance) P-C4' energy: -63.074
flat angles C4'-P-C4' energy: -70.227
flat angles P-C4'-P energy: -54.826
tors. eta vs tors. theta energy: -77.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -899.099778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.099778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.099778 (E_RNA)
where:
Base-Base interactions energy: -605.500
where: short stacking energy: -277.266
Base-Backbone interact. energy: -2.483
local terms energy: -291.117050
where:
bonds (distance) C4'-P energy: -49.001
bonds (distance) P-C4' energy: -58.343
flat angles C4'-P-C4' energy: -66.617
flat angles P-C4'-P energy: -43.748
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: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -862.091731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.091731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.091731 (E_RNA)
where:
Base-Base interactions energy: -577.334
where: short stacking energy: -238.084
Base-Backbone interact. energy: -1.001
local terms energy: -283.757243
where:
bonds (distance) C4'-P energy: -56.255
bonds (distance) P-C4' energy: -57.211
flat angles C4'-P-C4' energy: -62.826
flat angles P-C4'-P energy: -43.062
tors. eta vs tors. theta energy: -64.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -815.608291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.608291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.608291 (E_RNA)
where:
Base-Base interactions energy: -534.740
where: short stacking energy: -228.687
Base-Backbone interact. energy: -1.211
local terms energy: -279.657969
where:
bonds (distance) C4'-P energy: -55.672
bonds (distance) P-C4' energy: -60.671
flat angles C4'-P-C4' energy: -51.641
flat angles P-C4'-P energy: -46.672
tors. eta vs tors. theta energy: -65.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -476.368053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.368053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.368053 (E_RNA)
where:
Base-Base interactions energy: -264.581
where: short stacking energy: -138.037
Base-Backbone interact. energy: -1.337
local terms energy: -210.450502
where:
bonds (distance) C4'-P energy: -55.085
bonds (distance) P-C4' energy: -57.341
flat angles C4'-P-C4' energy: -51.302
flat angles P-C4'-P energy: -36.909
tors. eta vs tors. theta energy: -9.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -357.620864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.620864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.620864 (E_RNA)
where:
Base-Base interactions energy: -157.975
where: short stacking energy: -100.627
Base-Backbone interact. energy: -0.247
local terms energy: -199.398607
where:
bonds (distance) C4'-P energy: -56.726
bonds (distance) P-C4' energy: -67.723
flat angles C4'-P-C4' energy: -54.019
flat angles P-C4'-P energy: -34.864
tors. eta vs tors. theta energy: 13.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -330.679458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.679458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.679458 (E_RNA)
where:
Base-Base interactions energy: -155.406
where: short stacking energy: -105.566
Base-Backbone interact. energy: -0.474
local terms energy: -174.799428
where:
bonds (distance) C4'-P energy: -50.287
bonds (distance) P-C4' energy: -57.969
flat angles C4'-P-C4' energy: -38.914
flat angles P-C4'-P energy: -30.422
tors. eta vs tors. theta energy: 2.793
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: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -368.545647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.545647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.545647 (E_RNA)
where:
Base-Base interactions energy: -186.706
where: short stacking energy: -110.106
Base-Backbone interact. energy: -0.535
local terms energy: -181.304841
where:
bonds (distance) C4'-P energy: -55.773
bonds (distance) P-C4' energy: -52.374
flat angles C4'-P-C4' energy: -56.779
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -5.174
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: 1, replica: 8
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1080.017263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.017263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.017263 (E_RNA)
where:
Base-Base interactions energy: -753.784
where: short stacking energy: -308.657
Base-Backbone interact. energy: -1.950
local terms energy: -324.283777
where:
bonds (distance) C4'-P energy: -57.745
bonds (distance) P-C4' energy: -63.573
flat angles C4'-P-C4' energy: -76.637
flat angles P-C4'-P energy: -45.596
tors. eta vs tors. theta energy: -80.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1031.707077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.707077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.707077 (E_RNA)
where:
Base-Base interactions energy: -680.186
where: short stacking energy: -300.643
Base-Backbone interact. energy: -2.268
local terms energy: -349.253496
where:
bonds (distance) C4'-P energy: -64.437
bonds (distance) P-C4' energy: -66.518
flat angles C4'-P-C4' energy: -75.409
flat angles P-C4'-P energy: -53.841
tors. eta vs tors. theta energy: -89.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -960.283787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.283787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.283787 (E_RNA)
where:
Base-Base interactions energy: -626.379
where: short stacking energy: -283.386
Base-Backbone interact. energy: -2.141
local terms energy: -332.019206
where:
bonds (distance) C4'-P energy: -58.476
bonds (distance) P-C4' energy: -64.900
flat angles C4'-P-C4' energy: -71.270
flat angles P-C4'-P energy: -54.245
tors. eta vs tors. theta energy: -83.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.256 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -883.213126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.213126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.213126 (E_RNA)
where:
Base-Base interactions energy: -577.993
where: short stacking energy: -246.947
Base-Backbone interact. energy: -0.724
local terms energy: -305.500986
where:
bonds (distance) C4'-P energy: -58.743
bonds (distance) P-C4' energy: -60.170
flat angles C4'-P-C4' energy: -74.708
flat angles P-C4'-P energy: -38.436
tors. eta vs tors. theta energy: -73.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.005 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -847.642958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.642958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.642958 (E_RNA)
where:
Base-Base interactions energy: -577.476
where: short stacking energy: -246.075
Base-Backbone interact. energy: 0.898
local terms energy: -272.377023
where:
bonds (distance) C4'-P energy: -52.056
bonds (distance) P-C4' energy: -57.162
flat angles C4'-P-C4' energy: -63.886
flat angles P-C4'-P energy: -37.979
tors. eta vs tors. theta energy: -61.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.311 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -840.909450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.909450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.909450 (E_RNA)
where:
Base-Base interactions energy: -573.415
where: short stacking energy: -233.150
Base-Backbone interact. energy: -1.956
local terms energy: -265.538021
where:
bonds (distance) C4'-P energy: -55.044
bonds (distance) P-C4' energy: -54.690
flat angles C4'-P-C4' energy: -55.690
flat angles P-C4'-P energy: -36.876
tors. eta vs tors. theta energy: -63.237
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: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -491.503979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.503979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.503979 (E_RNA)
where:
Base-Base interactions energy: -255.758
where: short stacking energy: -147.873
Base-Backbone interact. energy: -2.069
local terms energy: -233.677252
where:
bonds (distance) C4'-P energy: -50.780
bonds (distance) P-C4' energy: -63.068
flat angles C4'-P-C4' energy: -51.839
flat angles P-C4'-P energy: -37.791
tors. eta vs tors. theta energy: -30.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -403.306860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.306860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.306860 (E_RNA)
where:
Base-Base interactions energy: -195.109
where: short stacking energy: -135.323
Base-Backbone interact. energy: -0.504
local terms energy: -207.694042
where:
bonds (distance) C4'-P energy: -46.560
bonds (distance) P-C4' energy: -49.388
flat angles C4'-P-C4' energy: -55.937
flat angles P-C4'-P energy: -35.379
tors. eta vs tors. theta energy: -20.430
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: 9, replica: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -335.282437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.282437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.282437 (E_RNA)
where:
Base-Base interactions energy: -142.060
where: short stacking energy: -83.163
Base-Backbone interact. energy: 3.548
local terms energy: -196.770224
where:
bonds (distance) C4'-P energy: -54.538
bonds (distance) P-C4' energy: -60.319
flat angles C4'-P-C4' energy: -55.096
flat angles P-C4'-P energy: -19.665
tors. eta vs tors. theta energy: -7.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -333.450043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.450043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.450043 (E_RNA)
where:
Base-Base interactions energy: -177.730
where: short stacking energy: -107.644
Base-Backbone interact. energy: 2.599
local terms energy: -158.318826
where:
bonds (distance) C4'-P energy: -45.994
bonds (distance) P-C4' energy: -50.317
flat angles C4'-P-C4' energy: -46.168
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: 8.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1082.697605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.697605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.697605 (E_RNA)
where:
Base-Base interactions energy: -744.515
where: short stacking energy: -307.818
Base-Backbone interact. energy: 1.719
local terms energy: -339.901804
where:
bonds (distance) C4'-P energy: -60.432
bonds (distance) P-C4' energy: -70.651
flat angles C4'-P-C4' energy: -73.047
flat angles P-C4'-P energy: -50.989
tors. eta vs tors. theta energy: -84.783
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: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1039.057303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.057303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.057303 (E_RNA)
where:
Base-Base interactions energy: -708.307
where: short stacking energy: -309.862
Base-Backbone interact. energy: -0.597
local terms energy: -330.152885
where:
bonds (distance) C4'-P energy: -58.167
bonds (distance) P-C4' energy: -63.608
flat angles C4'-P-C4' energy: -75.136
flat angles P-C4'-P energy: -49.245
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: 3, replica: 9
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -949.970433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.970433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.970433 (E_RNA)
where:
Base-Base interactions energy: -650.189
where: short stacking energy: -266.912
Base-Backbone interact. energy: -1.757
local terms energy: -298.113403
where:
bonds (distance) C4'-P energy: -60.835
bonds (distance) P-C4' energy: -57.959
flat angles C4'-P-C4' energy: -58.446
flat angles P-C4'-P energy: -46.526
tors. eta vs tors. theta energy: -74.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.088 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -885.089931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.089931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.089931 (E_RNA)
where:
Base-Base interactions energy: -584.174
where: short stacking energy: -241.959
Base-Backbone interact. energy: -2.251
local terms energy: -298.665217
where:
bonds (distance) C4'-P energy: -64.071
bonds (distance) P-C4' energy: -61.392
flat angles C4'-P-C4' energy: -65.296
flat angles P-C4'-P energy: -44.917
tors. eta vs tors. theta energy: -62.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -811.588260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.588260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.588260 (E_RNA)
where:
Base-Base interactions energy: -521.386
where: short stacking energy: -230.785
Base-Backbone interact. energy: -2.717
local terms energy: -287.490532
where:
bonds (distance) C4'-P energy: -56.373
bonds (distance) P-C4' energy: -59.607
flat angles C4'-P-C4' energy: -63.096
flat angles P-C4'-P energy: -47.965
tors. eta vs tors. theta energy: -60.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.006 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -842.673844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.673844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.673844 (E_RNA)
where:
Base-Base interactions energy: -565.444
where: short stacking energy: -233.099
Base-Backbone interact. energy: -1.150
local terms energy: -276.080030
where:
bonds (distance) C4'-P energy: -58.123
bonds (distance) P-C4' energy: -53.416
flat angles C4'-P-C4' energy: -68.777
flat angles P-C4'-P energy: -35.930
tors. eta vs tors. theta energy: -59.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -491.940461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.940461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.940461 (E_RNA)
where:
Base-Base interactions energy: -257.144
where: short stacking energy: -132.122
Base-Backbone interact. energy: -0.616
local terms energy: -234.180521
where:
bonds (distance) C4'-P energy: -58.422
bonds (distance) P-C4' energy: -52.362
flat angles C4'-P-C4' energy: -56.268
flat angles P-C4'-P energy: -44.674
tors. eta vs tors. theta energy: -22.456
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: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -449.956779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.956779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.956779 (E_RNA)
where:
Base-Base interactions energy: -261.778
where: short stacking energy: -158.705
Base-Backbone interact. energy: 0.426
local terms energy: -188.605317
where:
bonds (distance) C4'-P energy: -50.767
bonds (distance) P-C4' energy: -47.410
flat angles C4'-P-C4' energy: -44.503
flat angles P-C4'-P energy: -23.667
tors. eta vs tors. theta energy: -22.258
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: 9, replica: 1
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -404.856907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.856907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.856907 (E_RNA)
where:
Base-Base interactions energy: -222.637
where: short stacking energy: -104.111
Base-Backbone interact. energy: 1.565
local terms energy: -183.784698
where:
bonds (distance) C4'-P energy: -46.509
bonds (distance) P-C4' energy: -58.643
flat angles C4'-P-C4' energy: -45.895
flat angles P-C4'-P energy: -23.420
tors. eta vs tors. theta energy: -9.318
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: 3
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -311.343461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.343461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.343461 (E_RNA)
where:
Base-Base interactions energy: -131.199
where: short stacking energy: -91.105
Base-Backbone interact. energy: -0.133
local terms energy: -180.413129
where:
bonds (distance) C4'-P energy: -49.120
bonds (distance) P-C4' energy: -62.454
flat angles C4'-P-C4' energy: -50.985
flat angles P-C4'-P energy: -21.852
tors. eta vs tors. theta energy: 3.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.402 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1079.746973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.746973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.746973 (E_RNA)
where:
Base-Base interactions energy: -745.794
where: short stacking energy: -303.273
Base-Backbone interact. energy: -1.719
local terms energy: -332.234569
where:
bonds (distance) C4'-P energy: -61.366
bonds (distance) P-C4' energy: -69.604
flat angles C4'-P-C4' energy: -76.889
flat angles P-C4'-P energy: -48.021
tors. eta vs tors. theta energy: -76.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1054.843698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.843698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.843698 (E_RNA)
where:
Base-Base interactions energy: -707.421
where: short stacking energy: -299.093
Base-Backbone interact. energy: 1.988
local terms energy: -349.411356
where:
bonds (distance) C4'-P energy: -74.736
bonds (distance) P-C4' energy: -66.002
flat angles C4'-P-C4' energy: -69.159
flat angles P-C4'-P energy: -52.015
tors. eta vs tors. theta energy: -87.499
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: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -952.216062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.216062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.216062 (E_RNA)
where:
Base-Base interactions energy: -667.627
where: short stacking energy: -269.835
Base-Backbone interact. energy: -1.700
local terms energy: -282.888972
where:
bonds (distance) C4'-P energy: -60.552
bonds (distance) P-C4' energy: -59.650
flat angles C4'-P-C4' energy: -61.352
flat angles P-C4'-P energy: -30.013
tors. eta vs tors. theta energy: -71.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -844.338478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.338478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.338478 (E_RNA)
where:
Base-Base interactions energy: -554.912
where: short stacking energy: -229.506
Base-Backbone interact. energy: -0.501
local terms energy: -288.926143
where:
bonds (distance) C4'-P energy: -59.843
bonds (distance) P-C4' energy: -61.337
flat angles C4'-P-C4' energy: -66.050
flat angles P-C4'-P energy: -43.315
tors. eta vs tors. theta energy: -58.381
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: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -858.225177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.225177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.225177 (E_RNA)
where:
Base-Base interactions energy: -563.799
where: short stacking energy: -238.630
Base-Backbone interact. energy: -0.370
local terms energy: -294.056469
where:
bonds (distance) C4'-P energy: -61.709
bonds (distance) P-C4' energy: -69.621
flat angles C4'-P-C4' energy: -64.061
flat angles P-C4'-P energy: -43.542
tors. eta vs tors. theta energy: -55.123
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: 6, replica: 5
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -814.872646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.872646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.872646 (E_RNA)
where:
Base-Base interactions energy: -553.998
where: short stacking energy: -239.193
Base-Backbone interact. energy: 1.007
local terms energy: -262.781099
where:
bonds (distance) C4'-P energy: -61.750
bonds (distance) P-C4' energy: -62.716
flat angles C4'-P-C4' energy: -51.196
flat angles P-C4'-P energy: -26.236
tors. eta vs tors. theta energy: -60.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.899 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -532.285846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.285846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.285846 (E_RNA)
where:
Base-Base interactions energy: -311.650
where: short stacking energy: -170.081
Base-Backbone interact. energy: -0.260
local terms energy: -220.375735
where:
bonds (distance) C4'-P energy: -45.655
bonds (distance) P-C4' energy: -51.757
flat angles C4'-P-C4' energy: -55.701
flat angles P-C4'-P energy: -45.392
tors. eta vs tors. theta energy: -21.870
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: 8, replica: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -442.654240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.654240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.654240 (E_RNA)
where:
Base-Base interactions energy: -234.742
where: short stacking energy: -140.657
Base-Backbone interact. energy: -0.106
local terms energy: -207.806153
where:
bonds (distance) C4'-P energy: -50.027
bonds (distance) P-C4' energy: -66.693
flat angles C4'-P-C4' energy: -52.468
flat angles P-C4'-P energy: -26.367
tors. eta vs tors. theta energy: -12.251
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: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -368.330001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.330001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.330001 (E_RNA)
where:
Base-Base interactions energy: -172.929
where: short stacking energy: -106.435
Base-Backbone interact. energy: 0.015
local terms energy: -195.416227
where:
bonds (distance) C4'-P energy: -55.989
bonds (distance) P-C4' energy: -50.862
flat angles C4'-P-C4' energy: -54.040
flat angles P-C4'-P energy: -31.538
tors. eta vs tors. theta energy: -2.986
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: 10, replica: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -356.350887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.350887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.350887 (E_RNA)
where:
Base-Base interactions energy: -164.137
where: short stacking energy: -97.199
Base-Backbone interact. energy: 0.617
local terms energy: -192.830507
where:
bonds (distance) C4'-P energy: -56.548
bonds (distance) P-C4' energy: -45.647
flat angles C4'-P-C4' energy: -50.788
flat angles P-C4'-P energy: -36.630
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1067.054632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.054632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.054632 (E_RNA)
where:
Base-Base interactions energy: -735.619
where: short stacking energy: -321.628
Base-Backbone interact. energy: -1.496
local terms energy: -329.940354
where:
bonds (distance) C4'-P energy: -60.388
bonds (distance) P-C4' energy: -62.199
flat angles C4'-P-C4' energy: -68.344
flat angles P-C4'-P energy: -52.130
tors. eta vs tors. theta energy: -86.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1014.718713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.718713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.718713 (E_RNA)
where:
Base-Base interactions energy: -692.618
where: short stacking energy: -302.246
Base-Backbone interact. energy: -0.184
local terms energy: -321.916907
where:
bonds (distance) C4'-P energy: -57.930
bonds (distance) P-C4' energy: -62.759
flat angles C4'-P-C4' energy: -70.398
flat angles P-C4'-P energy: -48.139
tors. eta vs tors. theta energy: -82.691
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: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -948.505541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.505541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.505541 (E_RNA)
where:
Base-Base interactions energy: -653.027
where: short stacking energy: -289.244
Base-Backbone interact. energy: 3.674
local terms energy: -299.153141
where:
bonds (distance) C4'-P energy: -52.407
bonds (distance) P-C4' energy: -66.179
flat angles C4'-P-C4' energy: -68.153
flat angles P-C4'-P energy: -48.034
tors. eta vs tors. theta energy: -64.380
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: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -875.346763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.346763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.346763 (E_RNA)
where:
Base-Base interactions energy: -576.805
where: short stacking energy: -242.653
Base-Backbone interact. energy: -1.705
local terms energy: -296.837251
where:
bonds (distance) C4'-P energy: -59.710
bonds (distance) P-C4' energy: -57.750
flat angles C4'-P-C4' energy: -63.164
flat angles P-C4'-P energy: -49.401
tors. eta vs tors. theta energy: -66.812
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: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -868.966483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.966483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.966483 (E_RNA)
where:
Base-Base interactions energy: -589.934
where: short stacking energy: -264.363
Base-Backbone interact. energy: -0.681
local terms energy: -278.351849
where:
bonds (distance) C4'-P energy: -55.724
bonds (distance) P-C4' energy: -58.622
flat angles C4'-P-C4' energy: -60.194
flat angles P-C4'-P energy: -41.723
tors. eta vs tors. theta energy: -62.089
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: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -801.595207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.595207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.595207 (E_RNA)
where:
Base-Base interactions energy: -514.642
where: short stacking energy: -237.499
Base-Backbone interact. energy: 2.294
local terms energy: -289.247462
where:
bonds (distance) C4'-P energy: -59.298
bonds (distance) P-C4' energy: -60.259
flat angles C4'-P-C4' energy: -68.036
flat angles P-C4'-P energy: -36.246
tors. eta vs tors. theta energy: -65.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -559.347313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.347313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.347313 (E_RNA)
where:
Base-Base interactions energy: -341.257
where: short stacking energy: -167.791
Base-Backbone interact. energy: -1.058
local terms energy: -217.032738
where:
bonds (distance) C4'-P energy: -62.520
bonds (distance) P-C4' energy: -61.771
flat angles C4'-P-C4' energy: -35.878
flat angles P-C4'-P energy: -23.755
tors. eta vs tors. theta energy: -33.108
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: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -444.272885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.272885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.272885 (E_RNA)
where:
Base-Base interactions energy: -231.974
where: short stacking energy: -132.110
Base-Backbone interact. energy: -0.733
local terms energy: -211.565413
where:
bonds (distance) C4'-P energy: -54.811
bonds (distance) P-C4' energy: -60.927
flat angles C4'-P-C4' energy: -54.364
flat angles P-C4'-P energy: -24.361
tors. eta vs tors. theta energy: -17.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -351.107017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.107017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.107017 (E_RNA)
where:
Base-Base interactions energy: -174.426
where: short stacking energy: -83.691
Base-Backbone interact. energy: -1.743
local terms energy: -174.938016
where:
bonds (distance) C4'-P energy: -51.553
bonds (distance) P-C4' energy: -55.852
flat angles C4'-P-C4' energy: -53.667
flat angles P-C4'-P energy: -24.377
tors. eta vs tors. theta energy: 10.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -370.415749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.415749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.415749 (E_RNA)
where:
Base-Base interactions energy: -177.534
where: short stacking energy: -96.307
Base-Backbone interact. energy: 1.885
local terms energy: -196.110571
where:
bonds (distance) C4'-P energy: -56.486
bonds (distance) P-C4' energy: -47.363
flat angles C4'-P-C4' energy: -58.882
flat angles P-C4'-P energy: -31.172
tors. eta vs tors. theta energy: -2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.344 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1073.363295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.363295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.363295 (E_RNA)
where:
Base-Base interactions energy: -722.707
where: short stacking energy: -314.495
Base-Backbone interact. energy: -1.258
local terms energy: -349.397790
where:
bonds (distance) C4'-P energy: -78.465
bonds (distance) P-C4' energy: -58.810
flat angles C4'-P-C4' energy: -67.341
flat angles P-C4'-P energy: -54.870
tors. eta vs tors. theta energy: -89.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1015.616151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.616151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.616151 (E_RNA)
where:
Base-Base interactions energy: -664.966
where: short stacking energy: -293.597
Base-Backbone interact. energy: -1.746
local terms energy: -348.903933
where:
bonds (distance) C4'-P energy: -66.300
bonds (distance) P-C4' energy: -71.306
flat angles C4'-P-C4' energy: -78.728
flat angles P-C4'-P energy: -49.064
tors. eta vs tors. theta energy: -83.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -956.747895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.747895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.747895 (E_RNA)
where:
Base-Base interactions energy: -650.420
where: short stacking energy: -266.801
Base-Backbone interact. energy: -1.045
local terms energy: -305.283768
where:
bonds (distance) C4'-P energy: -54.167
bonds (distance) P-C4' energy: -62.568
flat angles C4'-P-C4' energy: -67.712
flat angles P-C4'-P energy: -57.508
tors. eta vs tors. theta energy: -63.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -907.649955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.649955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.649955 (E_RNA)
where:
Base-Base interactions energy: -600.627
where: short stacking energy: -263.306
Base-Backbone interact. energy: -1.182
local terms energy: -305.841360
where:
bonds (distance) C4'-P energy: -57.557
bonds (distance) P-C4' energy: -62.105
flat angles C4'-P-C4' energy: -65.244
flat angles P-C4'-P energy: -44.231
tors. eta vs tors. theta energy: -76.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -867.273121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.273121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.273121 (E_RNA)
where:
Base-Base interactions energy: -564.008
where: short stacking energy: -229.184
Base-Backbone interact. energy: -0.522
local terms energy: -303.546511
where:
bonds (distance) C4'-P energy: -69.471
bonds (distance) P-C4' energy: -64.238
flat angles C4'-P-C4' energy: -61.550
flat angles P-C4'-P energy: -44.204
tors. eta vs tors. theta energy: -64.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.804 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -778.510890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.510890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.510890 (E_RNA)
where:
Base-Base interactions energy: -521.394
where: short stacking energy: -228.068
Base-Backbone interact. energy: -1.568
local terms energy: -255.548733
where:
bonds (distance) C4'-P energy: -56.954
bonds (distance) P-C4' energy: -54.146
flat angles C4'-P-C4' energy: -56.705
flat angles P-C4'-P energy: -32.623
tors. eta vs tors. theta energy: -55.120
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: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -556.969218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.969218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.969218 (E_RNA)
where:
Base-Base interactions energy: -332.014
where: short stacking energy: -172.016
Base-Backbone interact. energy: 1.753
local terms energy: -226.708195
where:
bonds (distance) C4'-P energy: -48.404
bonds (distance) P-C4' energy: -63.094
flat angles C4'-P-C4' energy: -54.783
flat angles P-C4'-P energy: -32.160
tors. eta vs tors. theta energy: -28.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -429.049809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.049809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.049809 (E_RNA)
where:
Base-Base interactions energy: -233.073
where: short stacking energy: -102.050
Base-Backbone interact. energy: -1.739
local terms energy: -194.746595
where:
bonds (distance) C4'-P energy: -62.745
bonds (distance) P-C4' energy: -64.957
flat angles C4'-P-C4' energy: -45.661
flat angles P-C4'-P energy: -19.955
tors. eta vs tors. theta energy: -1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.509 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -377.309065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.309065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.309065 (E_RNA)
where:
Base-Base interactions energy: -177.061
where: short stacking energy: -122.948
Base-Backbone interact. energy: 5.278
local terms energy: -205.526215
where:
bonds (distance) C4'-P energy: -53.489
bonds (distance) P-C4' energy: -58.889
flat angles C4'-P-C4' energy: -42.954
flat angles P-C4'-P energy: -37.723
tors. eta vs tors. theta energy: -12.471
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: 1
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -336.743638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.743638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.743638 (E_RNA)
where:
Base-Base interactions energy: -157.383
where: short stacking energy: -102.339
Base-Backbone interact. energy: -2.406
local terms energy: -176.954379
where:
bonds (distance) C4'-P energy: -53.152
bonds (distance) P-C4' energy: -49.795
flat angles C4'-P-C4' energy: -40.847
flat angles P-C4'-P energy: -29.264
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1074.464092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.464092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.464092 (E_RNA)
where:
Base-Base interactions energy: -740.692
where: short stacking energy: -298.532
Base-Backbone interact. energy: -2.505
local terms energy: -331.266931
where:
bonds (distance) C4'-P energy: -64.313
bonds (distance) P-C4' energy: -64.512
flat angles C4'-P-C4' energy: -70.270
flat angles P-C4'-P energy: -47.722
tors. eta vs tors. theta energy: -84.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1014.223182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.223182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.223182 (E_RNA)
where:
Base-Base interactions energy: -691.627
where: short stacking energy: -309.911
Base-Backbone interact. energy: -1.560
local terms energy: -321.036789
where:
bonds (distance) C4'-P energy: -57.870
bonds (distance) P-C4' energy: -66.747
flat angles C4'-P-C4' energy: -69.646
flat angles P-C4'-P energy: -47.302
tors. eta vs tors. theta energy: -79.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -961.122034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.122034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.122034 (E_RNA)
where:
Base-Base interactions energy: -653.735
where: short stacking energy: -284.494
Base-Backbone interact. energy: -1.547
local terms energy: -305.839477
where:
bonds (distance) C4'-P energy: -72.042
bonds (distance) P-C4' energy: -50.934
flat angles C4'-P-C4' energy: -70.691
flat angles P-C4'-P energy: -43.623
tors. eta vs tors. theta energy: -68.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -934.168364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.168364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.168364 (E_RNA)
where:
Base-Base interactions energy: -632.467
where: short stacking energy: -282.448
Base-Backbone interact. energy: 1.295
local terms energy: -302.996269
where:
bonds (distance) C4'-P energy: -49.424
bonds (distance) P-C4' energy: -69.786
flat angles C4'-P-C4' energy: -70.364
flat angles P-C4'-P energy: -43.124
tors. eta vs tors. theta energy: -70.299
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: 2
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -867.238096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.238096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.238096 (E_RNA)
where:
Base-Base interactions energy: -565.513
where: short stacking energy: -252.109
Base-Backbone interact. energy: 0.391
local terms energy: -302.115862
where:
bonds (distance) C4'-P energy: -58.823
bonds (distance) P-C4' energy: -58.154
flat angles C4'-P-C4' energy: -63.759
flat angles P-C4'-P energy: -51.464
tors. eta vs tors. theta energy: -69.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -818.338819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.338819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.338819 (E_RNA)
where:
Base-Base interactions energy: -523.614
where: short stacking energy: -234.944
Base-Backbone interact. energy: 0.140
local terms energy: -294.865037
where:
bonds (distance) C4'-P energy: -64.029
bonds (distance) P-C4' energy: -65.891
flat angles C4'-P-C4' energy: -60.887
flat angles P-C4'-P energy: -35.023
tors. eta vs tors. theta energy: -69.035
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: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -560.613619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.613619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.613619 (E_RNA)
where:
Base-Base interactions energy: -346.389
where: short stacking energy: -187.123
Base-Backbone interact. energy: 4.878
local terms energy: -219.102514
where:
bonds (distance) C4'-P energy: -56.921
bonds (distance) P-C4' energy: -55.734
flat angles C4'-P-C4' energy: -50.554
flat angles P-C4'-P energy: -27.495
tors. eta vs tors. theta energy: -28.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -455.265974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.265974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.265974 (E_RNA)
where:
Base-Base interactions energy: -241.434
where: short stacking energy: -123.800
Base-Backbone interact. energy: 0.312
local terms energy: -214.144110
where:
bonds (distance) C4'-P energy: -54.538
bonds (distance) P-C4' energy: -59.718
flat angles C4'-P-C4' energy: -52.327
flat angles P-C4'-P energy: -36.211
tors. eta vs tors. theta energy: -11.350
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: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -383.613707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.613707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.613707 (E_RNA)
where:
Base-Base interactions energy: -183.020
where: short stacking energy: -96.518
Base-Backbone interact. energy: -1.214
local terms energy: -199.380223
where:
bonds (distance) C4'-P energy: -52.120
bonds (distance) P-C4' energy: -55.450
flat angles C4'-P-C4' energy: -51.945
flat angles P-C4'-P energy: -36.028
tors. eta vs tors. theta energy: -3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -308.711709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.711709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.711709 (E_RNA)
where:
Base-Base interactions energy: -136.126
where: short stacking energy: -88.226
Base-Backbone interact. energy: -0.978
local terms energy: -171.607669
where:
bonds (distance) C4'-P energy: -51.283
bonds (distance) P-C4' energy: -51.091
flat angles C4'-P-C4' energy: -48.114
flat angles P-C4'-P energy: -25.696
tors. eta vs tors. theta energy: 4.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1062.002561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.002561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.002561 (E_RNA)
where:
Base-Base interactions energy: -748.247
where: short stacking energy: -302.761
Base-Backbone interact. energy: 1.216
local terms energy: -314.971565
where:
bonds (distance) C4'-P energy: -61.158
bonds (distance) P-C4' energy: -68.585
flat angles C4'-P-C4' energy: -62.442
flat angles P-C4'-P energy: -40.862
tors. eta vs tors. theta energy: -81.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1017.368515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.368515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.368515 (E_RNA)
where:
Base-Base interactions energy: -680.784
where: short stacking energy: -300.510
Base-Backbone interact. energy: -2.583
local terms energy: -334.204634
where:
bonds (distance) C4'-P energy: -61.252
bonds (distance) P-C4' energy: -67.075
flat angles C4'-P-C4' energy: -75.543
flat angles P-C4'-P energy: -44.378
tors. eta vs tors. theta energy: -85.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.203 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -944.036391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.036391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.036391 (E_RNA)
where:
Base-Base interactions energy: -631.009
where: short stacking energy: -264.974
Base-Backbone interact. energy: -2.910
local terms energy: -310.117131
where:
bonds (distance) C4'-P energy: -61.343
bonds (distance) P-C4' energy: -68.515
flat angles C4'-P-C4' energy: -70.650
flat angles P-C4'-P energy: -44.749
tors. eta vs tors. theta energy: -64.860
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: 4, replica: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -916.027006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.027006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.027006 (E_RNA)
where:
Base-Base interactions energy: -605.158
where: short stacking energy: -288.685
Base-Backbone interact. energy: -0.485
local terms energy: -310.384705
where:
bonds (distance) C4'-P energy: -55.388
bonds (distance) P-C4' energy: -59.096
flat angles C4'-P-C4' energy: -68.115
flat angles P-C4'-P energy: -49.776
tors. eta vs tors. theta energy: -78.010
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: 2
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -831.173208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.173208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.173208 (E_RNA)
where:
Base-Base interactions energy: -576.037
where: short stacking energy: -222.640
Base-Backbone interact. energy: -2.482
local terms energy: -252.654355
where:
bonds (distance) C4'-P energy: -54.309
bonds (distance) P-C4' energy: -61.128
flat angles C4'-P-C4' energy: -54.967
flat angles P-C4'-P energy: -32.028
tors. eta vs tors. theta energy: -50.222
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: 6, replica: 5
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -814.639341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.639341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.639341 (E_RNA)
where:
Base-Base interactions energy: -527.406
where: short stacking energy: -235.063
Base-Backbone interact. energy: -1.163
local terms energy: -287.275183
where:
bonds (distance) C4'-P energy: -54.344
bonds (distance) P-C4' energy: -61.998
flat angles C4'-P-C4' energy: -61.486
flat angles P-C4'-P energy: -48.615
tors. eta vs tors. theta energy: -60.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.205 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -596.901951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.901951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.901951 (E_RNA)
where:
Base-Base interactions energy: -373.505
where: short stacking energy: -162.371
Base-Backbone interact. energy: -0.849
local terms energy: -222.547718
where:
bonds (distance) C4'-P energy: -46.656
bonds (distance) P-C4' energy: -63.550
flat angles C4'-P-C4' energy: -63.142
flat angles P-C4'-P energy: -19.807
tors. eta vs tors. theta energy: -29.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -453.035174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.035174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.035174 (E_RNA)
where:
Base-Base interactions energy: -245.202
where: short stacking energy: -124.158
Base-Backbone interact. energy: 0.446
local terms energy: -208.278758
where:
bonds (distance) C4'-P energy: -52.453
bonds (distance) P-C4' energy: -56.685
flat angles C4'-P-C4' energy: -45.778
flat angles P-C4'-P energy: -38.767
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -361.626378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.626378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.626378 (E_RNA)
where:
Base-Base interactions energy: -196.433
where: short stacking energy: -105.740
Base-Backbone interact. energy: 1.756
local terms energy: -166.949744
where:
bonds (distance) C4'-P energy: -46.595
bonds (distance) P-C4' energy: -46.790
flat angles C4'-P-C4' energy: -42.403
flat angles P-C4'-P energy: -38.054
tors. eta vs tors. theta energy: 6.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -258.253840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.253840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.253840 (E_RNA)
where:
Base-Base interactions energy: -93.465
where: short stacking energy: -75.686
Base-Backbone interact. energy: 4.507
local terms energy: -169.849674
where:
bonds (distance) C4'-P energy: -43.858
bonds (distance) P-C4' energy: -56.901
flat angles C4'-P-C4' energy: -30.191
flat angles P-C4'-P energy: -37.596
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.554 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1047.295750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.295750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.295750 (E_RNA)
where:
Base-Base interactions energy: -712.132
where: short stacking energy: -297.349
Base-Backbone interact. energy: -1.503
local terms energy: -333.661069
where:
bonds (distance) C4'-P energy: -61.956
bonds (distance) P-C4' energy: -62.057
flat angles C4'-P-C4' energy: -75.462
flat angles P-C4'-P energy: -53.468
tors. eta vs tors. theta energy: -80.718
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: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1027.375370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.375370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.375370 (E_RNA)
where:
Base-Base interactions energy: -681.731
where: short stacking energy: -309.034
Base-Backbone interact. energy: -2.388
local terms energy: -343.256783
where:
bonds (distance) C4'-P energy: -70.868
bonds (distance) P-C4' energy: -68.615
flat angles C4'-P-C4' energy: -62.311
flat angles P-C4'-P energy: -49.860
tors. eta vs tors. theta energy: -91.603
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: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -954.597800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.597800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.597800 (E_RNA)
where:
Base-Base interactions energy: -645.030
where: short stacking energy: -280.966
Base-Backbone interact. energy: -2.295
local terms energy: -307.272644
where:
bonds (distance) C4'-P energy: -66.510
bonds (distance) P-C4' energy: -55.092
flat angles C4'-P-C4' energy: -68.051
flat angles P-C4'-P energy: -41.001
tors. eta vs tors. theta energy: -76.618
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: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -887.595298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.595298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.595298 (E_RNA)
where:
Base-Base interactions energy: -569.726
where: short stacking energy: -266.346
Base-Backbone interact. energy: -0.593
local terms energy: -317.275822
where:
bonds (distance) C4'-P energy: -62.700
bonds (distance) P-C4' energy: -63.157
flat angles C4'-P-C4' energy: -69.520
flat angles P-C4'-P energy: -44.546
tors. eta vs tors. theta energy: -77.354
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: 10
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -836.976780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.976780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.976780 (E_RNA)
where:
Base-Base interactions energy: -553.656
where: short stacking energy: -249.948
Base-Backbone interact. energy: -0.908
local terms energy: -282.412668
where:
bonds (distance) C4'-P energy: -48.980
bonds (distance) P-C4' energy: -56.568
flat angles C4'-P-C4' energy: -62.799
flat angles P-C4'-P energy: -48.223
tors. eta vs tors. theta energy: -65.842
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: 6, replica: 5
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -844.467378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.467378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.467378 (E_RNA)
where:
Base-Base interactions energy: -571.340
where: short stacking energy: -252.562
Base-Backbone interact. energy: 4.080
local terms energy: -277.206852
where:
bonds (distance) C4'-P energy: -53.785
bonds (distance) P-C4' energy: -58.502
flat angles C4'-P-C4' energy: -57.722
flat angles P-C4'-P energy: -39.328
tors. eta vs tors. theta energy: -67.869
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: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -579.501950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.501950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.501950 (E_RNA)
where:
Base-Base interactions energy: -362.576
where: short stacking energy: -160.443
Base-Backbone interact. energy: 2.548
local terms energy: -219.473536
where:
bonds (distance) C4'-P energy: -46.009
bonds (distance) P-C4' energy: -58.092
flat angles C4'-P-C4' energy: -56.285
flat angles P-C4'-P energy: -35.740
tors. eta vs tors. theta energy: -23.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -461.349725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.349725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.349725 (E_RNA)
where:
Base-Base interactions energy: -232.252
where: short stacking energy: -123.811
Base-Backbone interact. energy: 1.350
local terms energy: -230.447334
where:
bonds (distance) C4'-P energy: -55.384
bonds (distance) P-C4' energy: -60.045
flat angles C4'-P-C4' energy: -58.700
flat angles P-C4'-P energy: -39.324
tors. eta vs tors. theta energy: -16.995
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: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -439.573406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.573406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.573406 (E_RNA)
where:
Base-Base interactions energy: -223.866
where: short stacking energy: -115.899
Base-Backbone interact. energy: 0.217
local terms energy: -215.925050
where:
bonds (distance) C4'-P energy: -53.451
bonds (distance) P-C4' energy: -64.110
flat angles C4'-P-C4' energy: -52.681
flat angles P-C4'-P energy: -27.881
tors. eta vs tors. theta energy: -17.801
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: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -283.156869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.156869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.156869 (E_RNA)
where:
Base-Base interactions energy: -96.712
where: short stacking energy: -90.464
Base-Backbone interact. energy: 1.303
local terms energy: -187.747565
where:
bonds (distance) C4'-P energy: -56.189
bonds (distance) P-C4' energy: -56.440
flat angles C4'-P-C4' energy: -37.505
flat angles P-C4'-P energy: -40.977
tors. eta vs tors. theta energy: 3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1092.858070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.858070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.858070 (E_RNA)
where:
Base-Base interactions energy: -744.269
where: short stacking energy: -313.183
Base-Backbone interact. energy: -2.919
local terms energy: -345.670592
where:
bonds (distance) C4'-P energy: -69.001
bonds (distance) P-C4' energy: -74.235
flat angles C4'-P-C4' energy: -73.395
flat angles P-C4'-P energy: -49.300
tors. eta vs tors. theta energy: -79.739
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: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1031.418743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.418743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.418743 (E_RNA)
where:
Base-Base interactions energy: -681.577
where: short stacking energy: -299.364
Base-Backbone interact. energy: -1.150
local terms energy: -348.691807
where:
bonds (distance) C4'-P energy: -58.006
bonds (distance) P-C4' energy: -73.492
flat angles C4'-P-C4' energy: -73.070
flat angles P-C4'-P energy: -48.654
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: 3, replica: 9
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -966.160920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.160920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.160920 (E_RNA)
where:
Base-Base interactions energy: -659.767
where: short stacking energy: -257.348
Base-Backbone interact. energy: 3.191
local terms energy: -309.584872
where:
bonds (distance) C4'-P energy: -62.319
bonds (distance) P-C4' energy: -68.480
flat angles C4'-P-C4' energy: -63.426
flat angles P-C4'-P energy: -42.693
tors. eta vs tors. theta energy: -72.668
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: 4, replica: 2
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -860.944496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.944496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.944496 (E_RNA)
where:
Base-Base interactions energy: -563.615
where: short stacking energy: -242.964
Base-Backbone interact. energy: -1.201
local terms energy: -296.128751
where:
bonds (distance) C4'-P energy: -63.625
bonds (distance) P-C4' energy: -58.244
flat angles C4'-P-C4' energy: -65.661
flat angles P-C4'-P energy: -39.695
tors. eta vs tors. theta energy: -68.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -871.295818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.295818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.295818 (E_RNA)
where:
Base-Base interactions energy: -574.337
where: short stacking energy: -246.307
Base-Backbone interact. energy: -0.628
local terms energy: -296.331016
where:
bonds (distance) C4'-P energy: -60.158
bonds (distance) P-C4' energy: -63.328
flat angles C4'-P-C4' energy: -63.195
flat angles P-C4'-P energy: -49.617
tors. eta vs tors. theta energy: -60.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -792.657229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.657229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.657229 (E_RNA)
where:
Base-Base interactions energy: -507.586
where: short stacking energy: -228.781
Base-Backbone interact. energy: -2.163
local terms energy: -282.908202
where:
bonds (distance) C4'-P energy: -62.201
bonds (distance) P-C4' energy: -57.794
flat angles C4'-P-C4' energy: -57.839
flat angles P-C4'-P energy: -38.049
tors. eta vs tors. theta energy: -67.025
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: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -621.758599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.758599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.758599 (E_RNA)
where:
Base-Base interactions energy: -396.988
where: short stacking energy: -198.707
Base-Backbone interact. energy: -1.679
local terms energy: -223.091062
where:
bonds (distance) C4'-P energy: -44.439
bonds (distance) P-C4' energy: -52.553
flat angles C4'-P-C4' energy: -61.125
flat angles P-C4'-P energy: -27.958
tors. eta vs tors. theta energy: -37.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -468.700265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.700265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.700265 (E_RNA)
where:
Base-Base interactions energy: -255.565
where: short stacking energy: -134.512
Base-Backbone interact. energy: 0.030
local terms energy: -213.164799
where:
bonds (distance) C4'-P energy: -45.874
bonds (distance) P-C4' energy: -67.101
flat angles C4'-P-C4' energy: -62.498
flat angles P-C4'-P energy: -33.729
tors. eta vs tors. theta energy: -3.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -412.639584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.639584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.639584 (E_RNA)
where:
Base-Base interactions energy: -215.115
where: short stacking energy: -118.782
Base-Backbone interact. energy: -0.171
local terms energy: -197.353892
where:
bonds (distance) C4'-P energy: -47.078
bonds (distance) P-C4' energy: -57.591
flat angles C4'-P-C4' energy: -44.617
flat angles P-C4'-P energy: -38.908
tors. eta vs tors. theta energy: -9.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -272.556023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.556023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.556023 (E_RNA)
where:
Base-Base interactions energy: -106.778
where: short stacking energy: -75.836
Base-Backbone interact. energy: -0.832
local terms energy: -164.945795
where:
bonds (distance) C4'-P energy: -50.580
bonds (distance) P-C4' energy: -53.601
flat angles C4'-P-C4' energy: -53.784
flat angles P-C4'-P energy: -29.919
tors. eta vs tors. theta energy: 22.938
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: 383
Temperature: 0.900000
Total energy: -1083.181311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.181311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.181311 (E_RNA)
where:
Base-Base interactions energy: -750.990
where: short stacking energy: -312.721
Base-Backbone interact. energy: -2.004
local terms energy: -330.187325
where:
bonds (distance) C4'-P energy: -62.843
bonds (distance) P-C4' energy: -64.578
flat angles C4'-P-C4' energy: -80.100
flat angles P-C4'-P energy: -49.854
tors. eta vs tors. theta energy: -72.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1053.963429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.963429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.963429 (E_RNA)
where:
Base-Base interactions energy: -705.555
where: short stacking energy: -312.124
Base-Backbone interact. energy: -2.340
local terms energy: -346.068116
where:
bonds (distance) C4'-P energy: -65.670
bonds (distance) P-C4' energy: -63.715
flat angles C4'-P-C4' energy: -76.043
flat angles P-C4'-P energy: -52.708
tors. eta vs tors. theta energy: -87.932
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: 383
Temperature: 1.000000
Total energy: -978.655749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.655749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.655749 (E_RNA)
where:
Base-Base interactions energy: -660.705
where: short stacking energy: -278.024
Base-Backbone interact. energy: 0.839
local terms energy: -318.789627
where:
bonds (distance) C4'-P energy: -57.013
bonds (distance) P-C4' energy: -66.360
flat angles C4'-P-C4' energy: -74.500
flat angles P-C4'-P energy: -42.134
tors. eta vs tors. theta energy: -78.782
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: 10
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -891.297192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.297192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.297192 (E_RNA)
where:
Base-Base interactions energy: -570.893
where: short stacking energy: -251.848
Base-Backbone interact. energy: -1.157
local terms energy: -319.247151
where:
bonds (distance) C4'-P energy: -66.282
bonds (distance) P-C4' energy: -70.597
flat angles C4'-P-C4' energy: -69.434
flat angles P-C4'-P energy: -47.024
tors. eta vs tors. theta energy: -65.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -880.345769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.345769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.345769 (E_RNA)
where:
Base-Base interactions energy: -601.180
where: short stacking energy: -273.469
Base-Backbone interact. energy: -0.909
local terms energy: -278.256298
where:
bonds (distance) C4'-P energy: -57.683
bonds (distance) P-C4' energy: -46.757
flat angles C4'-P-C4' energy: -55.196
flat angles P-C4'-P energy: -46.638
tors. eta vs tors. theta energy: -71.983
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: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -808.743633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.743633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.743633 (E_RNA)
where:
Base-Base interactions energy: -522.201
where: short stacking energy: -225.412
Base-Backbone interact. energy: -0.871
local terms energy: -285.671835
where:
bonds (distance) C4'-P energy: -52.759
bonds (distance) P-C4' energy: -61.758
flat angles C4'-P-C4' energy: -67.692
flat angles P-C4'-P energy: -37.096
tors. eta vs tors. theta energy: -66.367
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: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -648.428314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.428314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.428314 (E_RNA)
where:
Base-Base interactions energy: -397.103
where: short stacking energy: -172.336
Base-Backbone interact. energy: -2.403
local terms energy: -248.921836
where:
bonds (distance) C4'-P energy: -50.725
bonds (distance) P-C4' energy: -55.657
flat angles C4'-P-C4' energy: -59.106
flat angles P-C4'-P energy: -41.213
tors. eta vs tors. theta energy: -42.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -448.463153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.463153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.463153 (E_RNA)
where:
Base-Base interactions energy: -249.861
where: short stacking energy: -132.023
Base-Backbone interact. energy: 4.069
local terms energy: -202.670595
where:
bonds (distance) C4'-P energy: -50.363
bonds (distance) P-C4' energy: -53.026
flat angles C4'-P-C4' energy: -53.016
flat angles P-C4'-P energy: -26.107
tors. eta vs tors. theta energy: -20.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -452.728978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.728978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.728978 (E_RNA)
where:
Base-Base interactions energy: -239.190
where: short stacking energy: -128.800
Base-Backbone interact. energy: 0.959
local terms energy: -214.497832
where:
bonds (distance) C4'-P energy: -50.034
bonds (distance) P-C4' energy: -66.162
flat angles C4'-P-C4' energy: -44.403
flat angles P-C4'-P energy: -35.601
tors. eta vs tors. theta energy: -18.298
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: 1
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -258.763394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.763394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.763394 (E_RNA)
where:
Base-Base interactions energy: -79.406
where: short stacking energy: -60.075
Base-Backbone interact. energy: 0.328
local terms energy: -181.064019
where:
bonds (distance) C4'-P energy: -56.425
bonds (distance) P-C4' energy: -54.509
flat angles C4'-P-C4' energy: -47.343
flat angles P-C4'-P energy: -30.166
tors. eta vs tors. theta energy: 7.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.379 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1086.404727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.404727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.404727 (E_RNA)
where:
Base-Base interactions energy: -748.617
where: short stacking energy: -316.840
Base-Backbone interact. energy: -3.050
local terms energy: -334.737169
where:
bonds (distance) C4'-P energy: -57.960
bonds (distance) P-C4' energy: -70.820
flat angles C4'-P-C4' energy: -75.770
flat angles P-C4'-P energy: -50.625
tors. eta vs tors. theta energy: -79.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1041.289306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.289306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.289306 (E_RNA)
where:
Base-Base interactions energy: -720.481
where: short stacking energy: -313.721
Base-Backbone interact. energy: -2.912
local terms energy: -317.896398
where:
bonds (distance) C4'-P energy: -52.651
bonds (distance) P-C4' energy: -60.764
flat angles C4'-P-C4' energy: -69.882
flat angles P-C4'-P energy: -50.108
tors. eta vs tors. theta energy: -84.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -985.370491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.370491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.370491 (E_RNA)
where:
Base-Base interactions energy: -659.486
where: short stacking energy: -285.831
Base-Backbone interact. energy: -1.720
local terms energy: -324.164681
where:
bonds (distance) C4'-P energy: -64.582
bonds (distance) P-C4' energy: -65.264
flat angles C4'-P-C4' energy: -70.120
flat angles P-C4'-P energy: -50.120
tors. eta vs tors. theta energy: -74.078
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: 10
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -903.734105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.734105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.734105 (E_RNA)
where:
Base-Base interactions energy: -604.061
where: short stacking energy: -257.169
Base-Backbone interact. energy: 1.163
local terms energy: -300.836267
where:
bonds (distance) C4'-P energy: -62.272
bonds (distance) P-C4' energy: -67.081
flat angles C4'-P-C4' energy: -58.699
flat angles P-C4'-P energy: -45.463
tors. eta vs tors. theta energy: -67.322
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: 5, replica: 2
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -855.403297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.403297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.403297 (E_RNA)
where:
Base-Base interactions energy: -551.607
where: short stacking energy: -257.126
Base-Backbone interact. energy: -1.377
local terms energy: -302.418777
where:
bonds (distance) C4'-P energy: -54.932
bonds (distance) P-C4' energy: -66.899
flat angles C4'-P-C4' energy: -61.220
flat angles P-C4'-P energy: -49.924
tors. eta vs tors. theta energy: -69.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -803.287171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.287171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.287171 (E_RNA)
where:
Base-Base interactions energy: -532.763
where: short stacking energy: -227.824
Base-Backbone interact. energy: -0.910
local terms energy: -269.613781
where:
bonds (distance) C4'-P energy: -54.329
bonds (distance) P-C4' energy: -64.962
flat angles C4'-P-C4' energy: -51.343
flat angles P-C4'-P energy: -37.156
tors. eta vs tors. theta energy: -61.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -594.332015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.332015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.332015 (E_RNA)
where:
Base-Base interactions energy: -364.106
where: short stacking energy: -171.547
Base-Backbone interact. energy: -0.375
local terms energy: -229.850444
where:
bonds (distance) C4'-P energy: -50.933
bonds (distance) P-C4' energy: -46.959
flat angles C4'-P-C4' energy: -67.424
flat angles P-C4'-P energy: -34.447
tors. eta vs tors. theta energy: -30.087
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: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -475.412099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.412099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.412099 (E_RNA)
where:
Base-Base interactions energy: -240.354
where: short stacking energy: -132.760
Base-Backbone interact. energy: 0.238
local terms energy: -235.295696
where:
bonds (distance) C4'-P energy: -53.504
bonds (distance) P-C4' energy: -64.663
flat angles C4'-P-C4' energy: -53.242
flat angles P-C4'-P energy: -40.248
tors. eta vs tors. theta energy: -23.638
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: 384
Temperature: 1.300000
Total energy: -348.366252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.366252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.366252 (E_RNA)
where:
Base-Base interactions energy: -181.829
where: short stacking energy: -99.211
Base-Backbone interact. energy: -1.230
local terms energy: -165.307441
where:
bonds (distance) C4'-P energy: -48.669
bonds (distance) P-C4' energy: -57.063
flat angles C4'-P-C4' energy: -30.343
flat angles P-C4'-P energy: -33.520
tors. eta vs tors. theta energy: 4.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -264.378034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.378034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.378034 (E_RNA)
where:
Base-Base interactions energy: -97.382
where: short stacking energy: -75.112
Base-Backbone interact. energy: 4.573
local terms energy: -171.569340
where:
bonds (distance) C4'-P energy: -53.302
bonds (distance) P-C4' energy: -53.324
flat angles C4'-P-C4' energy: -46.320
flat angles P-C4'-P energy: -30.229
tors. eta vs tors. theta energy: 11.605
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: 1, replica: 8
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1067.399231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.399231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.399231 (E_RNA)
where:
Base-Base interactions energy: -736.413
where: short stacking energy: -305.882
Base-Backbone interact. energy: 1.761
local terms energy: -332.746713
where:
bonds (distance) C4'-P energy: -54.718
bonds (distance) P-C4' energy: -72.991
flat angles C4'-P-C4' energy: -67.878
flat angles P-C4'-P energy: -50.835
tors. eta vs tors. theta energy: -86.325
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: 2, replica: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1061.026867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.026867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.026867 (E_RNA)
where:
Base-Base interactions energy: -726.395
where: short stacking energy: -309.435
Base-Backbone interact. energy: -0.692
local terms energy: -333.940061
where:
bonds (distance) C4'-P energy: -53.329
bonds (distance) P-C4' energy: -64.304
flat angles C4'-P-C4' energy: -71.890
flat angles P-C4'-P energy: -48.716
tors. eta vs tors. theta energy: -95.701
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: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -973.048382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.048382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.048382 (E_RNA)
where:
Base-Base interactions energy: -669.587
where: short stacking energy: -295.130
Base-Backbone interact. energy: -0.886
local terms energy: -302.574761
where:
bonds (distance) C4'-P energy: -64.076
bonds (distance) P-C4' energy: -53.957
flat angles C4'-P-C4' energy: -64.572
flat angles P-C4'-P energy: -43.246
tors. eta vs tors. theta energy: -76.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -861.881704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.881704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.881704 (E_RNA)
where:
Base-Base interactions energy: -590.066
where: short stacking energy: -240.668
Base-Backbone interact. energy: 0.091
local terms energy: -271.907109
where:
bonds (distance) C4'-P energy: -52.886
bonds (distance) P-C4' energy: -61.733
flat angles C4'-P-C4' energy: -61.883
flat angles P-C4'-P energy: -35.640
tors. eta vs tors. theta energy: -59.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -854.211171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.211171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.211171 (E_RNA)
where:
Base-Base interactions energy: -564.084
where: short stacking energy: -255.779
Base-Backbone interact. energy: -1.576
local terms energy: -288.550766
where:
bonds (distance) C4'-P energy: -57.618
bonds (distance) P-C4' energy: -62.876
flat angles C4'-P-C4' energy: -55.988
flat angles P-C4'-P energy: -43.963
tors. eta vs tors. theta energy: -68.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -776.230465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.230465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.230465 (E_RNA)
where:
Base-Base interactions energy: -496.528
where: short stacking energy: -229.888
Base-Backbone interact. energy: -0.559
local terms energy: -279.143461
where:
bonds (distance) C4'-P energy: -63.963
bonds (distance) P-C4' energy: -61.145
flat angles C4'-P-C4' energy: -59.311
flat angles P-C4'-P energy: -30.261
tors. eta vs tors. theta energy: -64.462
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: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -555.252795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.252795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.252795 (E_RNA)
where:
Base-Base interactions energy: -321.258
where: short stacking energy: -156.623
Base-Backbone interact. energy: -0.875
local terms energy: -233.119875
where:
bonds (distance) C4'-P energy: -55.620
bonds (distance) P-C4' energy: -60.046
flat angles C4'-P-C4' energy: -49.745
flat angles P-C4'-P energy: -40.304
tors. eta vs tors. theta energy: -27.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -477.859768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.859768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.859768 (E_RNA)
where:
Base-Base interactions energy: -269.389
where: short stacking energy: -128.801
Base-Backbone interact. energy: -1.621
local terms energy: -206.849407
where:
bonds (distance) C4'-P energy: -61.103
bonds (distance) P-C4' energy: -58.211
flat angles C4'-P-C4' energy: -54.739
flat angles P-C4'-P energy: -19.843
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -365.842910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.842910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.842910 (E_RNA)
where:
Base-Base interactions energy: -160.960
where: short stacking energy: -114.078
Base-Backbone interact. energy: 0.741
local terms energy: -205.624042
where:
bonds (distance) C4'-P energy: -53.326
bonds (distance) P-C4' energy: -53.783
flat angles C4'-P-C4' energy: -58.165
flat angles P-C4'-P energy: -28.002
tors. eta vs tors. theta energy: -12.348
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: 10, replica: 1
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -264.256980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.256980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.256980 (E_RNA)
where:
Base-Base interactions energy: -104.726
where: short stacking energy: -80.499
Base-Backbone interact. energy: 1.210
local terms energy: -160.740677
where:
bonds (distance) C4'-P energy: -54.388
bonds (distance) P-C4' energy: -46.243
flat angles C4'-P-C4' energy: -43.004
flat angles P-C4'-P energy: -22.753
tors. eta vs tors. theta energy: 5.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1073.626357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.626357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.626357 (E_RNA)
where:
Base-Base interactions energy: -730.801
where: short stacking energy: -314.596
Base-Backbone interact. energy: -2.667
local terms energy: -340.158716
where:
bonds (distance) C4'-P energy: -69.978
bonds (distance) P-C4' energy: -62.785
flat angles C4'-P-C4' energy: -70.988
flat angles P-C4'-P energy: -45.933
tors. eta vs tors. theta energy: -90.475
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: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1053.603845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.603845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.603845 (E_RNA)
where:
Base-Base interactions energy: -738.065
where: short stacking energy: -313.696
Base-Backbone interact. energy: -2.759
local terms energy: -312.780035
where:
bonds (distance) C4'-P energy: -57.608
bonds (distance) P-C4' energy: -67.802
flat angles C4'-P-C4' energy: -66.424
flat angles P-C4'-P energy: -38.717
tors. eta vs tors. theta energy: -82.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -986.195334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.195334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.195334 (E_RNA)
where:
Base-Base interactions energy: -663.288
where: short stacking energy: -277.241
Base-Backbone interact. energy: -3.343
local terms energy: -320.011975
where:
bonds (distance) C4'-P energy: -66.363
bonds (distance) P-C4' energy: -59.515
flat angles C4'-P-C4' energy: -66.210
flat angles P-C4'-P energy: -44.191
tors. eta vs tors. theta energy: -83.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.448 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -876.186918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.186918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.186918 (E_RNA)
where:
Base-Base interactions energy: -556.452
where: short stacking energy: -264.907
Base-Backbone interact. energy: -0.494
local terms energy: -319.241199
where:
bonds (distance) C4'-P energy: -58.358
bonds (distance) P-C4' energy: -62.419
flat angles C4'-P-C4' energy: -71.687
flat angles P-C4'-P energy: -42.488
tors. eta vs tors. theta energy: -84.288
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: 5, replica: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -860.992936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.992936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.992936 (E_RNA)
where:
Base-Base interactions energy: -562.803
where: short stacking energy: -254.661
Base-Backbone interact. energy: -4.314
local terms energy: -293.875840
where:
bonds (distance) C4'-P energy: -65.227
bonds (distance) P-C4' energy: -50.304
flat angles C4'-P-C4' energy: -65.355
flat angles P-C4'-P energy: -39.389
tors. eta vs tors. theta energy: -73.601
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: 5
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -780.997684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.997684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.997684 (E_RNA)
where:
Base-Base interactions energy: -495.059
where: short stacking energy: -228.995
Base-Backbone interact. energy: -1.057
local terms energy: -284.881901
where:
bonds (distance) C4'-P energy: -63.873
bonds (distance) P-C4' energy: -53.235
flat angles C4'-P-C4' energy: -57.510
flat angles P-C4'-P energy: -44.631
tors. eta vs tors. theta energy: -65.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -492.278552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.278552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.278552 (E_RNA)
where:
Base-Base interactions energy: -256.520
where: short stacking energy: -149.281
Base-Backbone interact. energy: 1.580
local terms energy: -237.338445
where:
bonds (distance) C4'-P energy: -70.741
bonds (distance) P-C4' energy: -62.733
flat angles C4'-P-C4' energy: -55.462
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -28.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -530.241286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.241286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.241286 (E_RNA)
where:
Base-Base interactions energy: -326.686
where: short stacking energy: -155.209
Base-Backbone interact. energy: 3.553
local terms energy: -207.108817
where:
bonds (distance) C4'-P energy: -48.468
bonds (distance) P-C4' energy: -56.351
flat angles C4'-P-C4' energy: -56.345
flat angles P-C4'-P energy: -32.883
tors. eta vs tors. theta energy: -13.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -383.742167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.742167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.742167 (E_RNA)
where:
Base-Base interactions energy: -186.239
where: short stacking energy: -115.982
Base-Backbone interact. energy: 1.047
local terms energy: -198.550550
where:
bonds (distance) C4'-P energy: -49.007
bonds (distance) P-C4' energy: -61.510
flat angles C4'-P-C4' energy: -44.647
flat angles P-C4'-P energy: -31.252
tors. eta vs tors. theta energy: -12.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -291.640858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.640858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.640858 (E_RNA)
where:
Base-Base interactions energy: -123.802
where: short stacking energy: -86.836
Base-Backbone interact. energy: 6.494
local terms energy: -174.333154
where:
bonds (distance) C4'-P energy: -44.153
bonds (distance) P-C4' energy: -53.215
flat angles C4'-P-C4' energy: -54.341
flat angles P-C4'-P energy: -28.276
tors. eta vs tors. theta energy: 5.652
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: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1074.417962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.417962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.417962 (E_RNA)
where:
Base-Base interactions energy: -730.242
where: short stacking energy: -333.023
Base-Backbone interact. energy: -1.117
local terms energy: -343.695583
where:
bonds (distance) C4'-P energy: -67.824
bonds (distance) P-C4' energy: -64.937
flat angles C4'-P-C4' energy: -72.869
flat angles P-C4'-P energy: -48.707
tors. eta vs tors. theta energy: -89.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.636 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1053.495584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.495584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.495584 (E_RNA)
where:
Base-Base interactions energy: -719.383
where: short stacking energy: -308.271
Base-Backbone interact. energy: -0.393
local terms energy: -333.719643
where:
bonds (distance) C4'-P energy: -67.793
bonds (distance) P-C4' energy: -62.670
flat angles C4'-P-C4' energy: -70.738
flat angles P-C4'-P energy: -51.360
tors. eta vs tors. theta energy: -81.159
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: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -957.038784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.038784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.038784 (E_RNA)
where:
Base-Base interactions energy: -630.894
where: short stacking energy: -267.051
Base-Backbone interact. energy: -1.372
local terms energy: -324.772440
where:
bonds (distance) C4'-P energy: -65.524
bonds (distance) P-C4' energy: -71.322
flat angles C4'-P-C4' energy: -70.240
flat angles P-C4'-P energy: -50.003
tors. eta vs tors. theta energy: -67.684
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: 387
Temperature: 1.050000
Total energy: -890.461645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.461645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.461645 (E_RNA)
where:
Base-Base interactions energy: -574.943
where: short stacking energy: -270.600
Base-Backbone interact. energy: -2.051
local terms energy: -313.467777
where:
bonds (distance) C4'-P energy: -62.651
bonds (distance) P-C4' energy: -58.802
flat angles C4'-P-C4' energy: -70.112
flat angles P-C4'-P energy: -49.895
tors. eta vs tors. theta energy: -72.009
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: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -872.485058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.485058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.485058 (E_RNA)
where:
Base-Base interactions energy: -565.602
where: short stacking energy: -269.425
Base-Backbone interact. energy: 0.441
local terms energy: -307.323353
where:
bonds (distance) C4'-P energy: -55.038
bonds (distance) P-C4' energy: -59.810
flat angles C4'-P-C4' energy: -64.269
flat angles P-C4'-P energy: -47.427
tors. eta vs tors. theta energy: -80.779
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: 5
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -759.242251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.242251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.242251 (E_RNA)
where:
Base-Base interactions energy: -487.965
where: short stacking energy: -191.721
Base-Backbone interact. energy: -2.641
local terms energy: -269.157783
where:
bonds (distance) C4'-P energy: -61.773
bonds (distance) P-C4' energy: -56.242
flat angles C4'-P-C4' energy: -60.415
flat angles P-C4'-P energy: -41.053
tors. eta vs tors. theta energy: -49.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.521 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -543.291044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.291044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.291044 (E_RNA)
where:
Base-Base interactions energy: -324.696
where: short stacking energy: -164.545
Base-Backbone interact. energy: -1.170
local terms energy: -217.425359
where:
bonds (distance) C4'-P energy: -53.790
bonds (distance) P-C4' energy: -50.914
flat angles C4'-P-C4' energy: -59.058
flat angles P-C4'-P energy: -30.439
tors. eta vs tors. theta energy: -23.223
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: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -492.515641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.515641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.515641 (E_RNA)
where:
Base-Base interactions energy: -279.192
where: short stacking energy: -153.159
Base-Backbone interact. energy: 0.734
local terms energy: -214.057484
where:
bonds (distance) C4'-P energy: -45.831
bonds (distance) P-C4' energy: -53.081
flat angles C4'-P-C4' energy: -48.620
flat angles P-C4'-P energy: -35.101
tors. eta vs tors. theta energy: -31.425
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: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -337.239798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.239798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.239798 (E_RNA)
where:
Base-Base interactions energy: -139.011
where: short stacking energy: -95.354
Base-Backbone interact. energy: -0.344
local terms energy: -197.884639
where:
bonds (distance) C4'-P energy: -56.709
bonds (distance) P-C4' energy: -69.872
flat angles C4'-P-C4' energy: -47.596
flat angles P-C4'-P energy: -29.404
tors. eta vs tors. theta energy: 5.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -279.636548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.636548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.636548 (E_RNA)
where:
Base-Base interactions energy: -86.786
where: short stacking energy: -71.517
Base-Backbone interact. energy: 2.030
local terms energy: -194.881106
where:
bonds (distance) C4'-P energy: -58.146
bonds (distance) P-C4' energy: -66.068
flat angles C4'-P-C4' energy: -43.803
flat angles P-C4'-P energy: -33.687
tors. eta vs tors. theta energy: 6.823
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: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1078.668039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.668039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.668039 (E_RNA)
where:
Base-Base interactions energy: -727.242
where: short stacking energy: -315.437
Base-Backbone interact. energy: -1.215
local terms energy: -350.210533
where:
bonds (distance) C4'-P energy: -68.119
bonds (distance) P-C4' energy: -65.093
flat angles C4'-P-C4' energy: -74.500
flat angles P-C4'-P energy: -51.056
tors. eta vs tors. theta energy: -91.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1048.732183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.732183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.732183 (E_RNA)
where:
Base-Base interactions energy: -720.683
where: short stacking energy: -318.738
Base-Backbone interact. energy: -0.155
local terms energy: -327.893941
where:
bonds (distance) C4'-P energy: -60.425
bonds (distance) P-C4' energy: -59.772
flat angles C4'-P-C4' energy: -75.515
flat angles P-C4'-P energy: -46.797
tors. eta vs tors. theta energy: -85.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -967.960738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.960738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.960738 (E_RNA)
where:
Base-Base interactions energy: -657.362
where: short stacking energy: -288.161
Base-Backbone interact. energy: -1.697
local terms energy: -308.901857
where:
bonds (distance) C4'-P energy: -60.299
bonds (distance) P-C4' energy: -52.670
flat angles C4'-P-C4' energy: -73.280
flat angles P-C4'-P energy: -47.868
tors. eta vs tors. theta energy: -74.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -882.529746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.529746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.529746 (E_RNA)
where:
Base-Base interactions energy: -574.910
where: short stacking energy: -254.012
Base-Backbone interact. energy: -1.115
local terms energy: -306.504184
where:
bonds (distance) C4'-P energy: -57.303
bonds (distance) P-C4' energy: -65.186
flat angles C4'-P-C4' energy: -66.136
flat angles P-C4'-P energy: -49.324
tors. eta vs tors. theta energy: -68.554
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: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -845.910877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.910877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.910877 (E_RNA)
where:
Base-Base interactions energy: -565.108
where: short stacking energy: -250.891
Base-Backbone interact. energy: -0.706
local terms energy: -280.096381
where:
bonds (distance) C4'-P energy: -57.204
bonds (distance) P-C4' energy: -57.690
flat angles C4'-P-C4' energy: -63.743
flat angles P-C4'-P energy: -38.964
tors. eta vs tors. theta energy: -62.495
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: 6, replica: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -767.648644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.648644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.648644 (E_RNA)
where:
Base-Base interactions energy: -484.109
where: short stacking energy: -223.278
Base-Backbone interact. energy: -0.173
local terms energy: -283.365857
where:
bonds (distance) C4'-P energy: -72.058
bonds (distance) P-C4' energy: -61.547
flat angles C4'-P-C4' energy: -58.244
flat angles P-C4'-P energy: -32.785
tors. eta vs tors. theta energy: -58.731
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: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -549.089710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.089710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.089710 (E_RNA)
where:
Base-Base interactions energy: -320.743
where: short stacking energy: -159.260
Base-Backbone interact. energy: 1.725
local terms energy: -231.067412
where:
bonds (distance) C4'-P energy: -51.713
bonds (distance) P-C4' energy: -59.989
flat angles C4'-P-C4' energy: -52.311
flat angles P-C4'-P energy: -36.699
tors. eta vs tors. theta energy: -30.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.995 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -465.573044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.573044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.573044 (E_RNA)
where:
Base-Base interactions energy: -240.081
where: short stacking energy: -128.914
Base-Backbone interact. energy: -0.448
local terms energy: -225.044303
where:
bonds (distance) C4'-P energy: -65.074
bonds (distance) P-C4' energy: -62.881
flat angles C4'-P-C4' energy: -55.083
flat angles P-C4'-P energy: -32.604
tors. eta vs tors. theta energy: -9.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -352.675609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.675609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.675609 (E_RNA)
where:
Base-Base interactions energy: -145.165
where: short stacking energy: -95.499
Base-Backbone interact. energy: -1.444
local terms energy: -206.066245
where:
bonds (distance) C4'-P energy: -50.375
bonds (distance) P-C4' energy: -59.179
flat angles C4'-P-C4' energy: -64.183
flat angles P-C4'-P energy: -33.463
tors. eta vs tors. theta energy: 1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -288.134950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.134950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.134950 (E_RNA)
where:
Base-Base interactions energy: -91.604
where: short stacking energy: -65.989
Base-Backbone interact. energy: 0.008
local terms energy: -196.538519
where:
bonds (distance) C4'-P energy: -65.616
bonds (distance) P-C4' energy: -50.953
flat angles C4'-P-C4' energy: -45.968
flat angles P-C4'-P energy: -35.293
tors. eta vs tors. theta energy: 1.292
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: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1050.030800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.030800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.030800 (E_RNA)
where:
Base-Base interactions energy: -724.395
where: short stacking energy: -311.608
Base-Backbone interact. energy: -1.972
local terms energy: -323.663982
where:
bonds (distance) C4'-P energy: -60.845
bonds (distance) P-C4' energy: -66.931
flat angles C4'-P-C4' energy: -66.645
flat angles P-C4'-P energy: -46.912
tors. eta vs tors. theta energy: -82.331
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: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1075.125666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.125666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.125666 (E_RNA)
where:
Base-Base interactions energy: -728.647
where: short stacking energy: -313.015
Base-Backbone interact. energy: 0.361
local terms energy: -346.839003
where:
bonds (distance) C4'-P energy: -63.120
bonds (distance) P-C4' energy: -72.323
flat angles C4'-P-C4' energy: -69.821
flat angles P-C4'-P energy: -44.627
tors. eta vs tors. theta energy: -96.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -957.169863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.169863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.169863 (E_RNA)
where:
Base-Base interactions energy: -656.022
where: short stacking energy: -289.903
Base-Backbone interact. energy: -0.054
local terms energy: -301.093346
where:
bonds (distance) C4'-P energy: -62.648
bonds (distance) P-C4' energy: -55.577
flat angles C4'-P-C4' energy: -69.235
flat angles P-C4'-P energy: -36.112
tors. eta vs tors. theta energy: -77.522
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: 2
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -877.245486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.245486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.245486 (E_RNA)
where:
Base-Base interactions energy: -586.177
where: short stacking energy: -289.520
Base-Backbone interact. energy: -0.536
local terms energy: -290.532655
where:
bonds (distance) C4'-P energy: -49.918
bonds (distance) P-C4' energy: -57.106
flat angles C4'-P-C4' energy: -65.862
flat angles P-C4'-P energy: -43.283
tors. eta vs tors. theta energy: -74.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -875.456665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.456665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.456665 (E_RNA)
where:
Base-Base interactions energy: -574.907
where: short stacking energy: -268.028
Base-Backbone interact. energy: -1.261
local terms energy: -299.288106
where:
bonds (distance) C4'-P energy: -60.734
bonds (distance) P-C4' energy: -48.486
flat angles C4'-P-C4' energy: -67.156
flat angles P-C4'-P energy: -42.201
tors. eta vs tors. theta energy: -80.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -799.814178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.814178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.814178 (E_RNA)
where:
Base-Base interactions energy: -538.860
where: short stacking energy: -225.457
Base-Backbone interact. energy: -0.126
local terms energy: -260.828474
where:
bonds (distance) C4'-P energy: -49.677
bonds (distance) P-C4' energy: -52.293
flat angles C4'-P-C4' energy: -59.114
flat angles P-C4'-P energy: -43.158
tors. eta vs tors. theta energy: -56.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -561.854585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.854585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.854585 (E_RNA)
where:
Base-Base interactions energy: -316.413
where: short stacking energy: -153.591
Base-Backbone interact. energy: 1.284
local terms energy: -246.725692
where:
bonds (distance) C4'-P energy: -46.548
bonds (distance) P-C4' energy: -66.839
flat angles C4'-P-C4' energy: -64.358
flat angles P-C4'-P energy: -34.693
tors. eta vs tors. theta energy: -34.288
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: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -455.399323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.399323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.399323 (E_RNA)
where:
Base-Base interactions energy: -245.235
where: short stacking energy: -116.814
Base-Backbone interact. energy: -1.221
local terms energy: -208.943334
where:
bonds (distance) C4'-P energy: -55.943
bonds (distance) P-C4' energy: -51.874
flat angles C4'-P-C4' energy: -52.964
flat angles P-C4'-P energy: -36.077
tors. eta vs tors. theta energy: -12.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -352.959093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.959093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.959093 (E_RNA)
where:
Base-Base interactions energy: -176.419
where: short stacking energy: -102.483
Base-Backbone interact. energy: -1.503
local terms energy: -175.294764
where:
bonds (distance) C4'-P energy: -52.128
bonds (distance) P-C4' energy: -50.203
flat angles C4'-P-C4' energy: -41.662
flat angles P-C4'-P energy: -37.625
tors. eta vs tors. theta energy: 6.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.257 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -256.989573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.989573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.989573 (E_RNA)
where:
Base-Base interactions energy: -103.332
where: short stacking energy: -64.107
Base-Backbone interact. energy: 1.585
local terms energy: -155.242403
where:
bonds (distance) C4'-P energy: -48.733
bonds (distance) P-C4' energy: -51.726
flat angles C4'-P-C4' energy: -46.160
flat angles P-C4'-P energy: -23.682
tors. eta vs tors. theta energy: 15.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1073.425479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.425479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.425479 (E_RNA)
where:
Base-Base interactions energy: -720.621
where: short stacking energy: -321.824
Base-Backbone interact. energy: -2.340
local terms energy: -350.465420
where:
bonds (distance) C4'-P energy: -63.604
bonds (distance) P-C4' energy: -70.445
flat angles C4'-P-C4' energy: -74.344
flat angles P-C4'-P energy: -50.636
tors. eta vs tors. theta energy: -91.437
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: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1019.314730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.314730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.314730 (E_RNA)
where:
Base-Base interactions energy: -707.359
where: short stacking energy: -295.944
Base-Backbone interact. energy: -0.797
local terms energy: -311.158932
where:
bonds (distance) C4'-P energy: -62.049
bonds (distance) P-C4' energy: -58.062
flat angles C4'-P-C4' energy: -68.125
flat angles P-C4'-P energy: -43.127
tors. eta vs tors. theta energy: -79.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -991.430580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.430580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.430580 (E_RNA)
where:
Base-Base interactions energy: -676.681
where: short stacking energy: -288.013
Base-Backbone interact. energy: -2.219
local terms energy: -313.710896
where:
bonds (distance) C4'-P energy: -62.855
bonds (distance) P-C4' energy: -63.829
flat angles C4'-P-C4' energy: -64.465
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: -81.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.181 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -898.250049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.250049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.250049 (E_RNA)
where:
Base-Base interactions energy: -607.371
where: short stacking energy: -267.390
Base-Backbone interact. energy: -0.210
local terms energy: -290.669306
where:
bonds (distance) C4'-P energy: -57.094
bonds (distance) P-C4' energy: -50.263
flat angles C4'-P-C4' energy: -69.192
flat angles P-C4'-P energy: -43.296
tors. eta vs tors. theta energy: -70.824
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: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -808.260866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.260866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.260866 (E_RNA)
where:
Base-Base interactions energy: -537.513
where: short stacking energy: -243.094
Base-Backbone interact. energy: -1.144
local terms energy: -269.604069
where:
bonds (distance) C4'-P energy: -62.731
bonds (distance) P-C4' energy: -57.212
flat angles C4'-P-C4' energy: -59.717
flat angles P-C4'-P energy: -37.540
tors. eta vs tors. theta energy: -52.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -786.451763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.451763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.451763 (E_RNA)
where:
Base-Base interactions energy: -516.146
where: short stacking energy: -237.405
Base-Backbone interact. energy: -1.614
local terms energy: -268.691517
where:
bonds (distance) C4'-P energy: -59.020
bonds (distance) P-C4' energy: -51.770
flat angles C4'-P-C4' energy: -65.918
flat angles P-C4'-P energy: -39.355
tors. eta vs tors. theta energy: -52.629
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: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -576.409200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.409200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.409200 (E_RNA)
where:
Base-Base interactions energy: -359.833
where: short stacking energy: -181.383
Base-Backbone interact. energy: 3.766
local terms energy: -220.342532
where:
bonds (distance) C4'-P energy: -46.007
bonds (distance) P-C4' energy: -60.200
flat angles C4'-P-C4' energy: -64.513
flat angles P-C4'-P energy: -23.846
tors. eta vs tors. theta energy: -25.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -441.267483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.267483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.267483 (E_RNA)
where:
Base-Base interactions energy: -231.085
where: short stacking energy: -127.900
Base-Backbone interact. energy: 1.116
local terms energy: -211.298559
where:
bonds (distance) C4'-P energy: -58.393
bonds (distance) P-C4' energy: -53.768
flat angles C4'-P-C4' energy: -45.734
flat angles P-C4'-P energy: -37.756
tors. eta vs tors. theta energy: -15.648
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: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -373.356880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.356880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.356880 (E_RNA)
where:
Base-Base interactions energy: -173.881
where: short stacking energy: -113.112
Base-Backbone interact. energy: -0.160
local terms energy: -199.315618
where:
bonds (distance) C4'-P energy: -65.760
bonds (distance) P-C4' energy: -55.175
flat angles C4'-P-C4' energy: -39.937
flat angles P-C4'-P energy: -27.693
tors. eta vs tors. theta energy: -10.750
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: 390
Temperature: 1.350000
Total energy: -261.643547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.643547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.643547 (E_RNA)
where:
Base-Base interactions energy: -88.224
where: short stacking energy: -81.484
Base-Backbone interact. energy: -0.099
local terms energy: -173.320591
where:
bonds (distance) C4'-P energy: -51.382
bonds (distance) P-C4' energy: -64.475
flat angles C4'-P-C4' energy: -49.414
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: 5.180
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: 4
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1091.616170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.616170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.616170 (E_RNA)
where:
Base-Base interactions energy: -743.870
where: short stacking energy: -333.500
Base-Backbone interact. energy: -7.560
local terms energy: -340.186022
where:
bonds (distance) C4'-P energy: -63.970
bonds (distance) P-C4' energy: -67.103
flat angles C4'-P-C4' energy: -66.182
flat angles P-C4'-P energy: -48.934
tors. eta vs tors. theta energy: -93.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1044.738877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.738877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.738877 (E_RNA)
where:
Base-Base interactions energy: -713.705
where: short stacking energy: -300.403
Base-Backbone interact. energy: -2.328
local terms energy: -328.705488
where:
bonds (distance) C4'-P energy: -56.932
bonds (distance) P-C4' energy: -63.861
flat angles C4'-P-C4' energy: -74.221
flat angles P-C4'-P energy: -51.161
tors. eta vs tors. theta energy: -82.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -973.305656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.305656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.305656 (E_RNA)
where:
Base-Base interactions energy: -650.137
where: short stacking energy: -292.394
Base-Backbone interact. energy: -1.984
local terms energy: -321.184500
where:
bonds (distance) C4'-P energy: -68.544
bonds (distance) P-C4' energy: -66.206
flat angles C4'-P-C4' energy: -57.546
flat angles P-C4'-P energy: -48.732
tors. eta vs tors. theta energy: -80.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -929.263638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.263638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.263638 (E_RNA)
where:
Base-Base interactions energy: -626.211
where: short stacking energy: -272.585
Base-Backbone interact. energy: -0.893
local terms energy: -302.159789
where:
bonds (distance) C4'-P energy: -65.930
bonds (distance) P-C4' energy: -53.630
flat angles C4'-P-C4' energy: -61.409
flat angles P-C4'-P energy: -47.011
tors. eta vs tors. theta energy: -74.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -845.143270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.143270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.143270 (E_RNA)
where:
Base-Base interactions energy: -560.047
where: short stacking energy: -246.192
Base-Backbone interact. energy: -0.943
local terms energy: -284.153248
where:
bonds (distance) C4'-P energy: -55.536
bonds (distance) P-C4' energy: -55.663
flat angles C4'-P-C4' energy: -70.067
flat angles P-C4'-P energy: -38.112
tors. eta vs tors. theta energy: -64.774
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: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -755.972867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.972867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.972867 (E_RNA)
where:
Base-Base interactions energy: -492.933
where: short stacking energy: -211.840
Base-Backbone interact. energy: -1.022
local terms energy: -262.017660
where:
bonds (distance) C4'-P energy: -47.566
bonds (distance) P-C4' energy: -63.933
flat angles C4'-P-C4' energy: -59.099
flat angles P-C4'-P energy: -36.832
tors. eta vs tors. theta energy: -54.588
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: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -628.299220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.299220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.299220 (E_RNA)
where:
Base-Base interactions energy: -394.122
where: short stacking energy: -189.669
Base-Backbone interact. energy: -0.008
local terms energy: -234.169639
where:
bonds (distance) C4'-P energy: -45.428
bonds (distance) P-C4' energy: -52.902
flat angles C4'-P-C4' energy: -55.153
flat angles P-C4'-P energy: -34.008
tors. eta vs tors. theta energy: -46.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -442.011979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.011979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.011979 (E_RNA)
where:
Base-Base interactions energy: -232.699
where: short stacking energy: -118.525
Base-Backbone interact. energy: 5.237
local terms energy: -214.549948
where:
bonds (distance) C4'-P energy: -56.517
bonds (distance) P-C4' energy: -56.269
flat angles C4'-P-C4' energy: -51.113
flat angles P-C4'-P energy: -35.333
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -409.829365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.829365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.829365 (E_RNA)
where:
Base-Base interactions energy: -209.120
where: short stacking energy: -126.688
Base-Backbone interact. energy: 2.598
local terms energy: -203.307837
where:
bonds (distance) C4'-P energy: -49.333
bonds (distance) P-C4' energy: -56.989
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -24.686
tors. eta vs tors. theta energy: -16.539
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: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -257.030076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.030076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.030076 (E_RNA)
where:
Base-Base interactions energy: -85.473
where: short stacking energy: -54.007
Base-Backbone interact. energy: 1.623
local terms energy: -173.179900
where:
bonds (distance) C4'-P energy: -58.580
bonds (distance) P-C4' energy: -64.171
flat angles C4'-P-C4' energy: -34.957
flat angles P-C4'-P energy: -33.347
tors. eta vs tors. theta energy: 17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1087.631327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.631327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.631327 (E_RNA)
where:
Base-Base interactions energy: -724.914
where: short stacking energy: -335.512
Base-Backbone interact. energy: -0.317
local terms energy: -362.400388
where:
bonds (distance) C4'-P energy: -71.841
bonds (distance) P-C4' energy: -67.290
flat angles C4'-P-C4' energy: -76.283
flat angles P-C4'-P energy: -52.909
tors. eta vs tors. theta energy: -94.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1041.582972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.582972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.582972 (E_RNA)
where:
Base-Base interactions energy: -717.787
where: short stacking energy: -294.186
Base-Backbone interact. energy: -0.407
local terms energy: -323.389210
where:
bonds (distance) C4'-P energy: -64.892
bonds (distance) P-C4' energy: -58.722
flat angles C4'-P-C4' energy: -73.592
flat angles P-C4'-P energy: -46.948
tors. eta vs tors. theta energy: -79.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -965.236182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.236182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.236182 (E_RNA)
where:
Base-Base interactions energy: -663.568
where: short stacking energy: -292.898
Base-Backbone interact. energy: -4.030
local terms energy: -297.638471
where:
bonds (distance) C4'-P energy: -56.759
bonds (distance) P-C4' energy: -57.991
flat angles C4'-P-C4' energy: -68.725
flat angles P-C4'-P energy: -35.063
tors. eta vs tors. theta energy: -79.100
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: 4, replica: 2
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -933.037419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.037419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.037419 (E_RNA)
where:
Base-Base interactions energy: -622.621
where: short stacking energy: -268.716
Base-Backbone interact. energy: 1.539
local terms energy: -311.955336
where:
bonds (distance) C4'-P energy: -63.956
bonds (distance) P-C4' energy: -49.932
flat angles C4'-P-C4' energy: -71.373
flat angles P-C4'-P energy: -47.975
tors. eta vs tors. theta energy: -78.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -872.919250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.919250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.919250 (E_RNA)
where:
Base-Base interactions energy: -590.698
where: short stacking energy: -230.451
Base-Backbone interact. energy: -0.515
local terms energy: -281.706001
where:
bonds (distance) C4'-P energy: -60.150
bonds (distance) P-C4' energy: -60.105
flat angles C4'-P-C4' energy: -57.213
flat angles P-C4'-P energy: -43.123
tors. eta vs tors. theta energy: -61.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -758.385087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.385087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.385087 (E_RNA)
where:
Base-Base interactions energy: -499.923
where: short stacking energy: -225.472
Base-Backbone interact. energy: -1.675
local terms energy: -256.787813
where:
bonds (distance) C4'-P energy: -51.960
bonds (distance) P-C4' energy: -51.007
flat angles C4'-P-C4' energy: -63.466
flat angles P-C4'-P energy: -35.955
tors. eta vs tors. theta energy: -54.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -652.651809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.651809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.651809 (E_RNA)
where:
Base-Base interactions energy: -415.662
where: short stacking energy: -161.131
Base-Backbone interact. energy: 0.631
local terms energy: -237.621612
where:
bonds (distance) C4'-P energy: -62.225
bonds (distance) P-C4' energy: -49.117
flat angles C4'-P-C4' energy: -53.535
flat angles P-C4'-P energy: -32.150
tors. eta vs tors. theta energy: -40.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -467.917549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.917549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.917549 (E_RNA)
where:
Base-Base interactions energy: -250.598
where: short stacking energy: -130.908
Base-Backbone interact. energy: 1.092
local terms energy: -218.411344
where:
bonds (distance) C4'-P energy: -56.101
bonds (distance) P-C4' energy: -63.496
flat angles C4'-P-C4' energy: -49.927
flat angles P-C4'-P energy: -34.609
tors. eta vs tors. theta energy: -14.279
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: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -353.386393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.386393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.386393 (E_RNA)
where:
Base-Base interactions energy: -169.474
where: short stacking energy: -98.559
Base-Backbone interact. energy: -0.966
local terms energy: -182.947073
where:
bonds (distance) C4'-P energy: -41.330
bonds (distance) P-C4' energy: -61.580
flat angles C4'-P-C4' energy: -54.895
flat angles P-C4'-P energy: -30.493
tors. eta vs tors. theta energy: 5.351
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: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -290.688435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.688435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.688435 (E_RNA)
where:
Base-Base interactions energy: -129.110
where: short stacking energy: -88.492
Base-Backbone interact. energy: -1.688
local terms energy: -159.890937
where:
bonds (distance) C4'-P energy: -48.412
bonds (distance) P-C4' energy: -57.026
flat angles C4'-P-C4' energy: -36.457
flat angles P-C4'-P energy: -25.325
tors. eta vs tors. theta energy: 7.328
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: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1087.821996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.821996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.821996 (E_RNA)
where:
Base-Base interactions energy: -751.726
where: short stacking energy: -339.793
Base-Backbone interact. energy: -2.457
local terms energy: -333.638647
where:
bonds (distance) C4'-P energy: -57.380
bonds (distance) P-C4' energy: -57.887
flat angles C4'-P-C4' energy: -68.281
flat angles P-C4'-P energy: -54.327
tors. eta vs tors. theta energy: -95.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1036.239120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.239120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.239120 (E_RNA)
where:
Base-Base interactions energy: -717.804
where: short stacking energy: -296.044
Base-Backbone interact. energy: 0.034
local terms energy: -318.469424
where:
bonds (distance) C4'-P energy: -60.018
bonds (distance) P-C4' energy: -65.188
flat angles C4'-P-C4' energy: -63.896
flat angles P-C4'-P energy: -52.633
tors. eta vs tors. theta energy: -76.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -971.106279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.106279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.106279 (E_RNA)
where:
Base-Base interactions energy: -667.342
where: short stacking energy: -293.545
Base-Backbone interact. energy: 0.227
local terms energy: -303.991625
where:
bonds (distance) C4'-P energy: -54.369
bonds (distance) P-C4' energy: -63.721
flat angles C4'-P-C4' energy: -71.673
flat angles P-C4'-P energy: -37.625
tors. eta vs tors. theta energy: -76.604
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: 393
Temperature: 1.050000
Total energy: -941.095851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.095851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.095851 (E_RNA)
where:
Base-Base interactions energy: -629.660
where: short stacking energy: -295.969
Base-Backbone interact. energy: -1.538
local terms energy: -309.898277
where:
bonds (distance) C4'-P energy: -55.907
bonds (distance) P-C4' energy: -56.895
flat angles C4'-P-C4' energy: -62.438
flat angles P-C4'-P energy: -50.385
tors. eta vs tors. theta energy: -84.273
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: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -842.171464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.171464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.171464 (E_RNA)
where:
Base-Base interactions energy: -554.634
where: short stacking energy: -254.212
Base-Backbone interact. energy: -0.722
local terms energy: -286.815277
where:
bonds (distance) C4'-P energy: -51.773
bonds (distance) P-C4' energy: -59.647
flat angles C4'-P-C4' energy: -57.184
flat angles P-C4'-P energy: -49.144
tors. eta vs tors. theta energy: -69.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -753.401229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.401229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.401229 (E_RNA)
where:
Base-Base interactions energy: -477.615
where: short stacking energy: -219.145
Base-Backbone interact. energy: -0.853
local terms energy: -274.933828
where:
bonds (distance) C4'-P energy: -56.841
bonds (distance) P-C4' energy: -65.823
flat angles C4'-P-C4' energy: -64.847
flat angles P-C4'-P energy: -35.354
tors. eta vs tors. theta energy: -52.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -638.268300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.268300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.268300 (E_RNA)
where:
Base-Base interactions energy: -390.200
where: short stacking energy: -196.850
Base-Backbone interact. energy: -1.752
local terms energy: -246.316673
where:
bonds (distance) C4'-P energy: -63.091
bonds (distance) P-C4' energy: -48.257
flat angles C4'-P-C4' energy: -50.562
flat angles P-C4'-P energy: -45.697
tors. eta vs tors. theta energy: -38.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -400.616874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.616874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.616874 (E_RNA)
where:
Base-Base interactions energy: -187.484
where: short stacking energy: -124.136
Base-Backbone interact. energy: -0.583
local terms energy: -212.549667
where:
bonds (distance) C4'-P energy: -50.226
bonds (distance) P-C4' energy: -64.358
flat angles C4'-P-C4' energy: -53.723
flat angles P-C4'-P energy: -32.617
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -422.115463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.115463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.115463 (E_RNA)
where:
Base-Base interactions energy: -206.717
where: short stacking energy: -108.270
Base-Backbone interact. energy: -0.598
local terms energy: -214.800450
where:
bonds (distance) C4'-P energy: -52.345
bonds (distance) P-C4' energy: -60.179
flat angles C4'-P-C4' energy: -56.694
flat angles P-C4'-P energy: -34.382
tors. eta vs tors. theta energy: -11.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -275.172721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.172721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.172721 (E_RNA)
where:
Base-Base interactions energy: -93.568
where: short stacking energy: -75.049
Base-Backbone interact. energy: 0.464
local terms energy: -182.069286
where:
bonds (distance) C4'-P energy: -67.766
bonds (distance) P-C4' energy: -62.650
flat angles C4'-P-C4' energy: -39.176
flat angles P-C4'-P energy: -23.603
tors. eta vs tors. theta energy: 11.126
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: 4
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1069.444590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.444590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.444590 (E_RNA)
where:
Base-Base interactions energy: -730.184
where: short stacking energy: -314.647
Base-Backbone interact. energy: -0.450
local terms energy: -338.810492
where:
bonds (distance) C4'-P energy: -70.722
bonds (distance) P-C4' energy: -57.739
flat angles C4'-P-C4' energy: -70.850
flat angles P-C4'-P energy: -46.173
tors. eta vs tors. theta energy: -93.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1042.052121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.052121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.052121 (E_RNA)
where:
Base-Base interactions energy: -709.920
where: short stacking energy: -298.440
Base-Backbone interact. energy: -1.681
local terms energy: -330.451391
where:
bonds (distance) C4'-P energy: -58.456
bonds (distance) P-C4' energy: -62.637
flat angles C4'-P-C4' energy: -76.293
flat angles P-C4'-P energy: -48.444
tors. eta vs tors. theta energy: -84.621
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: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1002.984593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.984593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.984593 (E_RNA)
where:
Base-Base interactions energy: -663.537
where: short stacking energy: -316.546
Base-Backbone interact. energy: -1.005
local terms energy: -338.442113
where:
bonds (distance) C4'-P energy: -63.230
bonds (distance) P-C4' energy: -58.825
flat angles C4'-P-C4' energy: -78.059
flat angles P-C4'-P energy: -45.118
tors. eta vs tors. theta energy: -93.209
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: 4, replica: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -944.142887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.142887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.142887 (E_RNA)
where:
Base-Base interactions energy: -631.276
where: short stacking energy: -270.543
Base-Backbone interact. energy: 0.306
local terms energy: -313.172999
where:
bonds (distance) C4'-P energy: -61.905
bonds (distance) P-C4' energy: -62.641
flat angles C4'-P-C4' energy: -67.204
flat angles P-C4'-P energy: -42.612
tors. eta vs tors. theta energy: -78.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -866.872736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.872736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.872736 (E_RNA)
where:
Base-Base interactions energy: -552.799
where: short stacking energy: -258.035
Base-Backbone interact. energy: -1.480
local terms energy: -312.593591
where:
bonds (distance) C4'-P energy: -58.554
bonds (distance) P-C4' energy: -59.858
flat angles C4'-P-C4' energy: -69.870
flat angles P-C4'-P energy: -49.926
tors. eta vs tors. theta energy: -74.385
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: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -745.942051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.942051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.942051 (E_RNA)
where:
Base-Base interactions energy: -465.823
where: short stacking energy: -198.510
Base-Backbone interact. energy: 0.036
local terms energy: -280.154335
where:
bonds (distance) C4'-P energy: -55.751
bonds (distance) P-C4' energy: -57.641
flat angles C4'-P-C4' energy: -67.892
flat angles P-C4'-P energy: -45.283
tors. eta vs tors. theta energy: -53.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -635.664110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.664110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.664110 (E_RNA)
where:
Base-Base interactions energy: -392.683
where: short stacking energy: -175.959
Base-Backbone interact. energy: -1.114
local terms energy: -241.867734
where:
bonds (distance) C4'-P energy: -65.844
bonds (distance) P-C4' energy: -69.524
flat angles C4'-P-C4' energy: -56.025
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -32.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -390.450540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.450540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.450540 (E_RNA)
where:
Base-Base interactions energy: -176.953
where: short stacking energy: -105.231
Base-Backbone interact. energy: 1.975
local terms energy: -215.472314
where:
bonds (distance) C4'-P energy: -54.597
bonds (distance) P-C4' energy: -62.537
flat angles C4'-P-C4' energy: -62.643
flat angles P-C4'-P energy: -34.779
tors. eta vs tors. theta energy: -0.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -410.315333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.315333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.315333 (E_RNA)
where:
Base-Base interactions energy: -209.636
where: short stacking energy: -119.641
Base-Backbone interact. energy: 0.255
local terms energy: -200.934428
where:
bonds (distance) C4'-P energy: -52.850
bonds (distance) P-C4' energy: -58.644
flat angles C4'-P-C4' energy: -51.670
flat angles P-C4'-P energy: -29.362
tors. eta vs tors. theta energy: -8.408
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: 394
Temperature: 1.350000
Total energy: -268.777639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.777639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.777639 (E_RNA)
where:
Base-Base interactions energy: -105.411
where: short stacking energy: -78.431
Base-Backbone interact. energy: 4.461
local terms energy: -167.827597
where:
bonds (distance) C4'-P energy: -51.701
bonds (distance) P-C4' energy: -61.228
flat angles C4'-P-C4' energy: -49.830
flat angles P-C4'-P energy: -26.340
tors. eta vs tors. theta energy: 21.271
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: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1045.009360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.009360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.009360 (E_RNA)
where:
Base-Base interactions energy: -713.711
where: short stacking energy: -312.375
Base-Backbone interact. energy: -1.458
local terms energy: -329.840553
where:
bonds (distance) C4'-P energy: -54.465
bonds (distance) P-C4' energy: -69.659
flat angles C4'-P-C4' energy: -73.109
flat angles P-C4'-P energy: -46.450
tors. eta vs tors. theta energy: -86.158
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: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1039.706712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.706712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.706712 (E_RNA)
where:
Base-Base interactions energy: -707.651
where: short stacking energy: -296.716
Base-Backbone interact. energy: 0.891
local terms energy: -332.946585
where:
bonds (distance) C4'-P energy: -65.976
bonds (distance) P-C4' energy: -62.665
flat angles C4'-P-C4' energy: -70.464
flat angles P-C4'-P energy: -50.666
tors. eta vs tors. theta energy: -83.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -984.604250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.604250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.604250 (E_RNA)
where:
Base-Base interactions energy: -651.189
where: short stacking energy: -303.068
Base-Backbone interact. energy: -1.964
local terms energy: -331.451635
where:
bonds (distance) C4'-P energy: -59.437
bonds (distance) P-C4' energy: -66.286
flat angles C4'-P-C4' energy: -72.117
flat angles P-C4'-P energy: -48.272
tors. eta vs tors. theta energy: -85.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -928.067490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.067490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.067490 (E_RNA)
where:
Base-Base interactions energy: -612.833
where: short stacking energy: -267.122
Base-Backbone interact. energy: -0.278
local terms energy: -314.956630
where:
bonds (distance) C4'-P energy: -58.681
bonds (distance) P-C4' energy: -67.018
flat angles C4'-P-C4' energy: -61.656
flat angles P-C4'-P energy: -46.825
tors. eta vs tors. theta energy: -80.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -869.055253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.055253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.055253 (E_RNA)
where:
Base-Base interactions energy: -551.696
where: short stacking energy: -257.415
Base-Backbone interact. energy: 0.493
local terms energy: -317.852120
where:
bonds (distance) C4'-P energy: -72.588
bonds (distance) P-C4' energy: -67.231
flat angles C4'-P-C4' energy: -59.458
flat angles P-C4'-P energy: -44.567
tors. eta vs tors. theta energy: -74.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -717.656705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.656705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.656705 (E_RNA)
where:
Base-Base interactions energy: -459.602
where: short stacking energy: -202.350
Base-Backbone interact. energy: -3.402
local terms energy: -254.653395
where:
bonds (distance) C4'-P energy: -45.462
bonds (distance) P-C4' energy: -59.883
flat angles C4'-P-C4' energy: -64.600
flat angles P-C4'-P energy: -45.826
tors. eta vs tors. theta energy: -38.882
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: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -628.077441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.077441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.077441 (E_RNA)
where:
Base-Base interactions energy: -388.062
where: short stacking energy: -183.341
Base-Backbone interact. energy: -0.017
local terms energy: -239.997685
where:
bonds (distance) C4'-P energy: -57.219
bonds (distance) P-C4' energy: -64.601
flat angles C4'-P-C4' energy: -50.868
flat angles P-C4'-P energy: -36.867
tors. eta vs tors. theta energy: -30.442
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: 3
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -443.971987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.971987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.971987 (E_RNA)
where:
Base-Base interactions energy: -239.732
where: short stacking energy: -110.934
Base-Backbone interact. energy: -0.186
local terms energy: -204.053432
where:
bonds (distance) C4'-P energy: -47.838
bonds (distance) P-C4' energy: -64.396
flat angles C4'-P-C4' energy: -51.178
flat angles P-C4'-P energy: -35.068
tors. eta vs tors. theta energy: -5.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -347.183717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.183717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.183717 (E_RNA)
where:
Base-Base interactions energy: -156.681
where: short stacking energy: -87.105
Base-Backbone interact. energy: -0.664
local terms energy: -190.315696
where:
bonds (distance) C4'-P energy: -53.387
bonds (distance) P-C4' energy: -57.140
flat angles C4'-P-C4' energy: -56.644
flat angles P-C4'-P energy: -27.498
tors. eta vs tors. theta energy: 4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.477 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -265.365171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.365171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.365171 (E_RNA)
where:
Base-Base interactions energy: -97.121
where: short stacking energy: -65.489
Base-Backbone interact. energy: -0.654
local terms energy: -167.590251
where:
bonds (distance) C4'-P energy: -49.103
bonds (distance) P-C4' energy: -65.923
flat angles C4'-P-C4' energy: -53.513
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: 12.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1079.105293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.105293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.105293 (E_RNA)
where:
Base-Base interactions energy: -736.382
where: short stacking energy: -306.147
Base-Backbone interact. energy: -2.924
local terms energy: -339.799059
where:
bonds (distance) C4'-P energy: -66.578
bonds (distance) P-C4' energy: -65.044
flat angles C4'-P-C4' energy: -71.782
flat angles P-C4'-P energy: -46.061
tors. eta vs tors. theta energy: -90.334
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: 4
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1045.798342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.798342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.798342 (E_RNA)
where:
Base-Base interactions energy: -704.033
where: short stacking energy: -325.915
Base-Backbone interact. energy: -2.179
local terms energy: -339.586704
where:
bonds (distance) C4'-P energy: -66.451
bonds (distance) P-C4' energy: -61.516
flat angles C4'-P-C4' energy: -63.111
flat angles P-C4'-P energy: -49.769
tors. eta vs tors. theta energy: -98.739
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: 396
Temperature: 1.000000
Total energy: -996.886549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.886549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.886549 (E_RNA)
where:
Base-Base interactions energy: -664.956
where: short stacking energy: -297.661
Base-Backbone interact. energy: -1.616
local terms energy: -330.314466
where:
bonds (distance) C4'-P energy: -71.554
bonds (distance) P-C4' energy: -71.346
flat angles C4'-P-C4' energy: -68.475
flat angles P-C4'-P energy: -38.381
tors. eta vs tors. theta energy: -80.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -905.713171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.713171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.713171 (E_RNA)
where:
Base-Base interactions energy: -611.236
where: short stacking energy: -243.070
Base-Backbone interact. energy: -2.006
local terms energy: -293.081141
where:
bonds (distance) C4'-P energy: -62.913
bonds (distance) P-C4' energy: -63.680
flat angles C4'-P-C4' energy: -50.939
flat angles P-C4'-P energy: -48.638
tors. eta vs tors. theta energy: -66.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.610 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -874.455995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.455995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.455995 (E_RNA)
where:
Base-Base interactions energy: -570.957
where: short stacking energy: -256.454
Base-Backbone interact. energy: -1.902
local terms energy: -301.597075
where:
bonds (distance) C4'-P energy: -51.080
bonds (distance) P-C4' energy: -69.098
flat angles C4'-P-C4' energy: -63.418
flat angles P-C4'-P energy: -44.632
tors. eta vs tors. theta energy: -73.370
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: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -739.769055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.769055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.769055 (E_RNA)
where:
Base-Base interactions energy: -469.644
where: short stacking energy: -217.344
Base-Backbone interact. energy: -0.153
local terms energy: -271.047286
where:
bonds (distance) C4'-P energy: -52.751
bonds (distance) P-C4' energy: -69.431
flat angles C4'-P-C4' energy: -56.428
flat angles P-C4'-P energy: -36.601
tors. eta vs tors. theta energy: -55.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.075 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -657.744915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.744915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.744915 (E_RNA)
where:
Base-Base interactions energy: -404.424
where: short stacking energy: -190.993
Base-Backbone interact. energy: -0.852
local terms energy: -252.469407
where:
bonds (distance) C4'-P energy: -68.060
bonds (distance) P-C4' energy: -64.581
flat angles C4'-P-C4' energy: -42.865
flat angles P-C4'-P energy: -33.752
tors. eta vs tors. theta energy: -43.212
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: 3
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -433.978153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.978153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.978153 (E_RNA)
where:
Base-Base interactions energy: -234.052
where: short stacking energy: -130.389
Base-Backbone interact. energy: 0.288
local terms energy: -200.214233
where:
bonds (distance) C4'-P energy: -52.166
bonds (distance) P-C4' energy: -51.011
flat angles C4'-P-C4' energy: -40.809
flat angles P-C4'-P energy: -40.228
tors. eta vs tors. theta energy: -16.000
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: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -334.368264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.368264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.368264 (E_RNA)
where:
Base-Base interactions energy: -151.615
where: short stacking energy: -91.223
Base-Backbone interact. energy: 0.222
local terms energy: -182.975852
where:
bonds (distance) C4'-P energy: -55.494
bonds (distance) P-C4' energy: -61.920
flat angles C4'-P-C4' energy: -45.864
flat angles P-C4'-P energy: -22.246
tors. eta vs tors. theta energy: 2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -263.853239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.853239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.853239 (E_RNA)
where:
Base-Base interactions energy: -92.690
where: short stacking energy: -66.194
Base-Backbone interact. energy: -2.379
local terms energy: -168.783976
where:
bonds (distance) C4'-P energy: -59.300
bonds (distance) P-C4' energy: -61.252
flat angles C4'-P-C4' energy: -38.463
flat angles P-C4'-P energy: -28.233
tors. eta vs tors. theta energy: 18.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1083.163099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.163099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.163099 (E_RNA)
where:
Base-Base interactions energy: -739.531
where: short stacking energy: -322.884
Base-Backbone interact. energy: -3.866
local terms energy: -339.765964
where:
bonds (distance) C4'-P energy: -61.377
bonds (distance) P-C4' energy: -67.426
flat angles C4'-P-C4' energy: -69.071
flat angles P-C4'-P energy: -53.611
tors. eta vs tors. theta energy: -88.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1049.476774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.476774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.476774 (E_RNA)
where:
Base-Base interactions energy: -719.727
where: short stacking energy: -315.369
Base-Backbone interact. energy: -1.120
local terms energy: -328.630357
where:
bonds (distance) C4'-P energy: -49.469
bonds (distance) P-C4' energy: -66.639
flat angles C4'-P-C4' energy: -72.152
flat angles P-C4'-P energy: -50.207
tors. eta vs tors. theta energy: -90.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1000.635590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.635590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.635590 (E_RNA)
where:
Base-Base interactions energy: -686.076
where: short stacking energy: -296.169
Base-Backbone interact. energy: -0.530
local terms energy: -314.030338
where:
bonds (distance) C4'-P energy: -63.020
bonds (distance) P-C4' energy: -48.572
flat angles C4'-P-C4' energy: -67.014
flat angles P-C4'-P energy: -55.712
tors. eta vs tors. theta energy: -79.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -934.226537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.226537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.226537 (E_RNA)
where:
Base-Base interactions energy: -624.546
where: short stacking energy: -268.173
Base-Backbone interact. energy: -1.157
local terms energy: -308.522876
where:
bonds (distance) C4'-P energy: -63.657
bonds (distance) P-C4' energy: -62.475
flat angles C4'-P-C4' energy: -67.437
flat angles P-C4'-P energy: -39.193
tors. eta vs tors. theta energy: -75.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -878.500848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.500848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.500848 (E_RNA)
where:
Base-Base interactions energy: -571.730
where: short stacking energy: -240.810
Base-Backbone interact. energy: -0.537
local terms energy: -306.233571
where:
bonds (distance) C4'-P energy: -50.027
bonds (distance) P-C4' energy: -67.509
flat angles C4'-P-C4' energy: -65.068
flat angles P-C4'-P energy: -46.182
tors. eta vs tors. theta energy: -77.448
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: 6, replica: 6
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -645.233332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.233332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.233332 (E_RNA)
where:
Base-Base interactions energy: -411.511
where: short stacking energy: -192.471
Base-Backbone interact. energy: 0.114
local terms energy: -233.836109
where:
bonds (distance) C4'-P energy: -53.555
bonds (distance) P-C4' energy: -51.776
flat angles C4'-P-C4' energy: -62.984
flat angles P-C4'-P energy: -29.333
tors. eta vs tors. theta energy: -36.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -668.716402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.716402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.716402 (E_RNA)
where:
Base-Base interactions energy: -431.429
where: short stacking energy: -178.383
Base-Backbone interact. energy: -1.015
local terms energy: -236.272096
where:
bonds (distance) C4'-P energy: -49.274
bonds (distance) P-C4' energy: -48.971
flat angles C4'-P-C4' energy: -54.057
flat angles P-C4'-P energy: -37.385
tors. eta vs tors. theta energy: -46.584
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: 3
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -436.429403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.429403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.429403 (E_RNA)
where:
Base-Base interactions energy: -228.242
where: short stacking energy: -115.557
Base-Backbone interact. energy: 1.300
local terms energy: -209.487702
where:
bonds (distance) C4'-P energy: -47.348
bonds (distance) P-C4' energy: -70.165
flat angles C4'-P-C4' energy: -61.542
flat angles P-C4'-P energy: -23.493
tors. eta vs tors. theta energy: -6.939
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: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -354.072212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.072212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.072212 (E_RNA)
where:
Base-Base interactions energy: -162.392
where: short stacking energy: -92.422
Base-Backbone interact. energy: 0.913
local terms energy: -192.593239
where:
bonds (distance) C4'-P energy: -55.737
bonds (distance) P-C4' energy: -62.839
flat angles C4'-P-C4' energy: -44.051
flat angles P-C4'-P energy: -28.577
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: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -267.058366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.058366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.058366 (E_RNA)
where:
Base-Base interactions energy: -91.132
where: short stacking energy: -81.010
Base-Backbone interact. energy: 0.821
local terms energy: -176.746885
where:
bonds (distance) C4'-P energy: -59.253
bonds (distance) P-C4' energy: -55.214
flat angles C4'-P-C4' energy: -48.498
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: 8.257
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: 8
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1076.252307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.252307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.252307 (E_RNA)
where:
Base-Base interactions energy: -734.953
where: short stacking energy: -316.098
Base-Backbone interact. energy: 1.708
local terms energy: -343.006869
where:
bonds (distance) C4'-P energy: -64.259
bonds (distance) P-C4' energy: -62.182
flat angles C4'-P-C4' energy: -80.019
flat angles P-C4'-P energy: -50.318
tors. eta vs tors. theta energy: -86.229
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: 2, replica: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1048.893721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.893721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.893721 (E_RNA)
where:
Base-Base interactions energy: -712.103
where: short stacking energy: -294.938
Base-Backbone interact. energy: 3.661
local terms energy: -340.451733
where:
bonds (distance) C4'-P energy: -58.367
bonds (distance) P-C4' energy: -71.652
flat angles C4'-P-C4' energy: -70.205
flat angles P-C4'-P energy: -54.035
tors. eta vs tors. theta energy: -86.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -981.251880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.251880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.251880 (E_RNA)
where:
Base-Base interactions energy: -669.380
where: short stacking energy: -303.451
Base-Backbone interact. energy: -0.208
local terms energy: -311.663876
where:
bonds (distance) C4'-P energy: -55.654
bonds (distance) P-C4' energy: -67.746
flat angles C4'-P-C4' energy: -71.415
flat angles P-C4'-P energy: -35.175
tors. eta vs tors. theta energy: -81.674
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: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -941.244603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.244603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.244603 (E_RNA)
where:
Base-Base interactions energy: -646.340
where: short stacking energy: -283.584
Base-Backbone interact. energy: -1.119
local terms energy: -293.785359
where:
bonds (distance) C4'-P energy: -56.680
bonds (distance) P-C4' energy: -52.954
flat angles C4'-P-C4' energy: -62.114
flat angles P-C4'-P energy: -43.368
tors. eta vs tors. theta energy: -78.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -883.174934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.174934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.174934 (E_RNA)
where:
Base-Base interactions energy: -590.807
where: short stacking energy: -271.065
Base-Backbone interact. energy: -0.448
local terms energy: -291.919760
where:
bonds (distance) C4'-P energy: -57.283
bonds (distance) P-C4' energy: -62.358
flat angles C4'-P-C4' energy: -61.261
flat angles P-C4'-P energy: -29.704
tors. eta vs tors. theta energy: -81.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -631.654288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.654288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.654288 (E_RNA)
where:
Base-Base interactions energy: -391.229
where: short stacking energy: -175.315
Base-Backbone interact. energy: -2.303
local terms energy: -238.478010
where:
bonds (distance) C4'-P energy: -41.481
bonds (distance) P-C4' energy: -57.700
flat angles C4'-P-C4' energy: -63.288
flat angles P-C4'-P energy: -35.687
tors. eta vs tors. theta energy: -40.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.356 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -664.560741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.560741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.560741 (E_RNA)
where:
Base-Base interactions energy: -402.805
where: short stacking energy: -180.315
Base-Backbone interact. energy: -0.653
local terms energy: -261.103304
where:
bonds (distance) C4'-P energy: -54.064
bonds (distance) P-C4' energy: -61.936
flat angles C4'-P-C4' energy: -61.953
flat angles P-C4'-P energy: -43.220
tors. eta vs tors. theta energy: -39.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -433.401740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.401740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.401740 (E_RNA)
where:
Base-Base interactions energy: -230.510
where: short stacking energy: -133.912
Base-Backbone interact. energy: -1.813
local terms energy: -201.078571
where:
bonds (distance) C4'-P energy: -52.546
bonds (distance) P-C4' energy: -58.338
flat angles C4'-P-C4' energy: -50.788
flat angles P-C4'-P energy: -29.943
tors. eta vs tors. theta energy: -9.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -347.434159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.434159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.434159 (E_RNA)
where:
Base-Base interactions energy: -166.352
where: short stacking energy: -91.472
Base-Backbone interact. energy: 0.760
local terms energy: -181.841541
where:
bonds (distance) C4'-P energy: -42.442
bonds (distance) P-C4' energy: -67.620
flat angles C4'-P-C4' energy: -50.282
flat angles P-C4'-P energy: -16.506
tors. eta vs tors. theta energy: -4.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -279.951116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.951116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.951116 (E_RNA)
where:
Base-Base interactions energy: -102.284
where: short stacking energy: -87.680
Base-Backbone interact. energy: 0.845
local terms energy: -178.512079
where:
bonds (distance) C4'-P energy: -49.589
bonds (distance) P-C4' energy: -50.421
flat angles C4'-P-C4' energy: -47.688
flat angles P-C4'-P energy: -34.645
tors. eta vs tors. theta energy: 3.831
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: 1, replica: 8
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1077.527824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.527824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.527824 (E_RNA)
where:
Base-Base interactions energy: -740.425
where: short stacking energy: -302.339
Base-Backbone interact. energy: -2.030
local terms energy: -335.072982
where:
bonds (distance) C4'-P energy: -67.505
bonds (distance) P-C4' energy: -68.363
flat angles C4'-P-C4' energy: -72.782
flat angles P-C4'-P energy: -41.843
tors. eta vs tors. theta energy: -84.581
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: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1049.353021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.353021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.353021 (E_RNA)
where:
Base-Base interactions energy: -725.967
where: short stacking energy: -314.076
Base-Backbone interact. energy: 0.326
local terms energy: -323.712677
where:
bonds (distance) C4'-P energy: -69.236
bonds (distance) P-C4' energy: -59.022
flat angles C4'-P-C4' energy: -72.390
flat angles P-C4'-P energy: -43.697
tors. eta vs tors. theta energy: -79.367
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: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -980.423103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.423103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.423103 (E_RNA)
where:
Base-Base interactions energy: -665.823
where: short stacking energy: -291.175
Base-Backbone interact. energy: -0.704
local terms energy: -313.896260
where:
bonds (distance) C4'-P energy: -65.301
bonds (distance) P-C4' energy: -67.276
flat angles C4'-P-C4' energy: -64.348
flat angles P-C4'-P energy: -43.596
tors. eta vs tors. theta energy: -73.375
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: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -970.112720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.112720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.112720 (E_RNA)
where:
Base-Base interactions energy: -647.357
where: short stacking energy: -263.148
Base-Backbone interact. energy: -0.616
local terms energy: -322.139366
where:
bonds (distance) C4'-P energy: -60.194
bonds (distance) P-C4' energy: -64.238
flat angles C4'-P-C4' energy: -72.737
flat angles P-C4'-P energy: -42.595
tors. eta vs tors. theta energy: -82.374
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: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -878.740256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.740256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.740256 (E_RNA)
where:
Base-Base interactions energy: -568.349
where: short stacking energy: -246.362
Base-Backbone interact. energy: -0.661
local terms energy: -309.730325
where:
bonds (distance) C4'-P energy: -69.813
bonds (distance) P-C4' energy: -68.818
flat angles C4'-P-C4' energy: -62.186
flat angles P-C4'-P energy: -49.239
tors. eta vs tors. theta energy: -59.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -801.812033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.812033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.812033 (E_RNA)
where:
Base-Base interactions energy: -523.374
where: short stacking energy: -218.848
Base-Backbone interact. energy: -1.371
local terms energy: -277.926263
where:
bonds (distance) C4'-P energy: -47.782
bonds (distance) P-C4' energy: -60.054
flat angles C4'-P-C4' energy: -61.328
flat angles P-C4'-P energy: -47.133
tors. eta vs tors. theta energy: -61.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.859 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -589.555600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.555600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.555600 (E_RNA)
where:
Base-Base interactions energy: -377.433
where: short stacking energy: -175.855
Base-Backbone interact. energy: 3.358
local terms energy: -215.480203
where:
bonds (distance) C4'-P energy: -62.475
bonds (distance) P-C4' energy: -53.742
flat angles C4'-P-C4' energy: -59.868
flat angles P-C4'-P energy: -25.703
tors. eta vs tors. theta energy: -13.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -444.286620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.286620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.286620 (E_RNA)
where:
Base-Base interactions energy: -220.365
where: short stacking energy: -123.186
Base-Backbone interact. energy: 0.070
local terms energy: -223.991784
where:
bonds (distance) C4'-P energy: -58.852
bonds (distance) P-C4' energy: -65.253
flat angles C4'-P-C4' energy: -51.855
flat angles P-C4'-P energy: -36.890
tors. eta vs tors. theta energy: -11.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -365.044507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.044507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.044507 (E_RNA)
where:
Base-Base interactions energy: -183.702
where: short stacking energy: -111.662
Base-Backbone interact. energy: -0.463
local terms energy: -180.879973
where:
bonds (distance) C4'-P energy: -49.759
bonds (distance) P-C4' energy: -49.533
flat angles C4'-P-C4' energy: -45.983
flat angles P-C4'-P energy: -30.513
tors. eta vs tors. theta energy: -5.092
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: 1
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -274.815997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.815997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.815997 (E_RNA)
where:
Base-Base interactions energy: -95.610
where: short stacking energy: -78.191
Base-Backbone interact. energy: 0.924
local terms energy: -180.129818
where:
bonds (distance) C4'-P energy: -54.444
bonds (distance) P-C4' energy: -50.405
flat angles C4'-P-C4' energy: -53.135
flat angles P-C4'-P energy: -28.907
tors. eta vs tors. theta energy: 6.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1093.458005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.458005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.458005 (E_RNA)
where:
Base-Base interactions energy: -750.064
where: short stacking energy: -318.065
Base-Backbone interact. energy: 0.473
local terms energy: -343.866891
where:
bonds (distance) C4'-P energy: -66.972
bonds (distance) P-C4' energy: -67.803
flat angles C4'-P-C4' energy: -72.613
flat angles P-C4'-P energy: -50.641
tors. eta vs tors. theta energy: -85.838
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: 4
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1035.260823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.260823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.260823 (E_RNA)
where:
Base-Base interactions energy: -686.212
where: short stacking energy: -315.252
Base-Backbone interact. energy: -1.783
local terms energy: -347.265252
where:
bonds (distance) C4'-P energy: -61.903
bonds (distance) P-C4' energy: -72.191
flat angles C4'-P-C4' energy: -73.980
flat angles P-C4'-P energy: -53.152
tors. eta vs tors. theta energy: -86.039
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: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -946.971888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.971888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.971888 (E_RNA)
where:
Base-Base interactions energy: -644.206
where: short stacking energy: -276.542
Base-Backbone interact. energy: -1.724
local terms energy: -301.041625
where:
bonds (distance) C4'-P energy: -64.112
bonds (distance) P-C4' energy: -57.360
flat angles C4'-P-C4' energy: -66.799
flat angles P-C4'-P energy: -36.674
tors. eta vs tors. theta energy: -76.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -915.583267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.583267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.583267 (E_RNA)
where:
Base-Base interactions energy: -615.855
where: short stacking energy: -265.630
Base-Backbone interact. energy: -2.415
local terms energy: -297.313331
where:
bonds (distance) C4'-P energy: -54.908
bonds (distance) P-C4' energy: -56.825
flat angles C4'-P-C4' energy: -68.019
flat angles P-C4'-P energy: -41.032
tors. eta vs tors. theta energy: -76.529
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: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -857.744175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.744175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.744175 (E_RNA)
where:
Base-Base interactions energy: -565.314
where: short stacking energy: -253.412
Base-Backbone interact. energy: -0.902
local terms energy: -291.528014
where:
bonds (distance) C4'-P energy: -62.596
bonds (distance) P-C4' energy: -57.024
flat angles C4'-P-C4' energy: -70.769
flat angles P-C4'-P energy: -37.930
tors. eta vs tors. theta energy: -63.209
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: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -787.561515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.561515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.561515 (E_RNA)
where:
Base-Base interactions energy: -525.999
where: short stacking energy: -222.442
Base-Backbone interact. energy: -2.129
local terms energy: -259.433421
where:
bonds (distance) C4'-P energy: -57.848
bonds (distance) P-C4' energy: -56.750
flat angles C4'-P-C4' energy: -61.524
flat angles P-C4'-P energy: -34.020
tors. eta vs tors. theta energy: -49.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -621.183366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.183366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.183366 (E_RNA)
where:
Base-Base interactions energy: -380.709
where: short stacking energy: -161.985
Base-Backbone interact. energy: -2.252
local terms energy: -238.222481
where:
bonds (distance) C4'-P energy: -49.764
bonds (distance) P-C4' energy: -73.010
flat angles C4'-P-C4' energy: -53.605
flat angles P-C4'-P energy: -42.258
tors. eta vs tors. theta energy: -19.585
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: 8, replica: 3
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -499.172365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.172365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.172365 (E_RNA)
where:
Base-Base interactions energy: -267.664
where: short stacking energy: -142.998
Base-Backbone interact. energy: -0.569
local terms energy: -230.939329
where:
bonds (distance) C4'-P energy: -62.543
bonds (distance) P-C4' energy: -64.559
flat angles C4'-P-C4' energy: -49.165
flat angles P-C4'-P energy: -24.546
tors. eta vs tors. theta energy: -30.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -337.281334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.281334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.281334 (E_RNA)
where:
Base-Base interactions energy: -159.330
where: short stacking energy: -90.520
Base-Backbone interact. energy: 4.591
local terms energy: -183.931303
where:
bonds (distance) C4'-P energy: -56.296
bonds (distance) P-C4' energy: -57.812
flat angles C4'-P-C4' energy: -46.579
flat angles P-C4'-P energy: -27.812
tors. eta vs tors. theta energy: 4.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.390 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -262.781541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.781541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.781541 (E_RNA)
where:
Base-Base interactions energy: -108.550
where: short stacking energy: -76.901
Base-Backbone interact. energy: -1.444
local terms energy: -152.787819
where:
bonds (distance) C4'-P energy: -44.007
bonds (distance) P-C4' energy: -46.146
flat angles C4'-P-C4' energy: -53.046
flat angles P-C4'-P energy: -24.249
tors. eta vs tors. theta energy: 14.660
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: 1, replica: 8
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1110.481603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.481603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.481603 (E_RNA)
where:
Base-Base interactions energy: -771.035
where: short stacking energy: -320.085
Base-Backbone interact. energy: -2.016
local terms energy: -337.430695
where:
bonds (distance) C4'-P energy: -63.915
bonds (distance) P-C4' energy: -64.871
flat angles C4'-P-C4' energy: -74.138
flat angles P-C4'-P energy: -47.779
tors. eta vs tors. theta energy: -86.728
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: 4
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1045.020376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.020376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.020376 (E_RNA)
where:
Base-Base interactions energy: -724.028
where: short stacking energy: -312.105
Base-Backbone interact. energy: -0.734
local terms energy: -320.258430
where:
bonds (distance) C4'-P energy: -59.443
bonds (distance) P-C4' energy: -67.483
flat angles C4'-P-C4' energy: -65.101
flat angles P-C4'-P energy: -47.074
tors. eta vs tors. theta energy: -81.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -960.359417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.359417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.359417 (E_RNA)
where:
Base-Base interactions energy: -641.417
where: short stacking energy: -274.459
Base-Backbone interact. energy: -2.416
local terms energy: -316.526153
where:
bonds (distance) C4'-P energy: -68.019
bonds (distance) P-C4' energy: -65.986
flat angles C4'-P-C4' energy: -65.690
flat angles P-C4'-P energy: -48.503
tors. eta vs tors. theta energy: -68.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -933.528898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.528898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.528898 (E_RNA)
where:
Base-Base interactions energy: -627.235
where: short stacking energy: -276.234
Base-Backbone interact. energy: 0.667
local terms energy: -307.984238
where:
bonds (distance) C4'-P energy: -46.866
bonds (distance) P-C4' energy: -68.558
flat angles C4'-P-C4' energy: -68.690
flat angles P-C4'-P energy: -48.743
tors. eta vs tors. theta energy: -75.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.023 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -857.383699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.383699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.383699 (E_RNA)
where:
Base-Base interactions energy: -549.974
where: short stacking energy: -257.359
Base-Backbone interact. energy: 0.162
local terms energy: -307.571825
where:
bonds (distance) C4'-P energy: -57.129
bonds (distance) P-C4' energy: -74.555
flat angles C4'-P-C4' energy: -62.932
flat angles P-C4'-P energy: -43.929
tors. eta vs tors. theta energy: -69.027
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: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -801.684981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.684981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.684981 (E_RNA)
where:
Base-Base interactions energy: -510.666
where: short stacking energy: -224.011
Base-Backbone interact. energy: -0.180
local terms energy: -290.839796
where:
bonds (distance) C4'-P energy: -64.582
bonds (distance) P-C4' energy: -61.492
flat angles C4'-P-C4' energy: -64.486
flat angles P-C4'-P energy: -43.992
tors. eta vs tors. theta energy: -56.288
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: 401
Temperature: 1.200000
Total energy: -630.674826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.674826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.674826 (E_RNA)
where:
Base-Base interactions energy: -394.512
where: short stacking energy: -184.541
Base-Backbone interact. energy: 0.747
local terms energy: -236.909284
where:
bonds (distance) C4'-P energy: -49.574
bonds (distance) P-C4' energy: -50.668
flat angles C4'-P-C4' energy: -63.320
flat angles P-C4'-P energy: -29.786
tors. eta vs tors. theta energy: -43.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -523.584597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.584597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.584597 (E_RNA)
where:
Base-Base interactions energy: -295.862
where: short stacking energy: -148.022
Base-Backbone interact. energy: -1.800
local terms energy: -225.922653
where:
bonds (distance) C4'-P energy: -44.949
bonds (distance) P-C4' energy: -70.901
flat angles C4'-P-C4' energy: -56.765
flat angles P-C4'-P energy: -36.020
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -343.386101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.386101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.386101 (E_RNA)
where:
Base-Base interactions energy: -149.281
where: short stacking energy: -86.970
Base-Backbone interact. energy: 1.370
local terms energy: -195.475303
where:
bonds (distance) C4'-P energy: -67.006
bonds (distance) P-C4' energy: -47.497
flat angles C4'-P-C4' energy: -50.902
flat angles P-C4'-P energy: -31.957
tors. eta vs tors. theta energy: 1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -333.112430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.112430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.112430 (E_RNA)
where:
Base-Base interactions energy: -151.652
where: short stacking energy: -88.821
Base-Backbone interact. energy: -0.116
local terms energy: -181.344998
where:
bonds (distance) C4'-P energy: -46.878
bonds (distance) P-C4' energy: -62.840
flat angles C4'-P-C4' energy: -43.834
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: -6.657
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: 8
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1080.334104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.334104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.334104 (E_RNA)
where:
Base-Base interactions energy: -731.484
where: short stacking energy: -320.464
Base-Backbone interact. energy: -3.307
local terms energy: -345.542778
where:
bonds (distance) C4'-P energy: -60.521
bonds (distance) P-C4' energy: -70.357
flat angles C4'-P-C4' energy: -71.780
flat angles P-C4'-P energy: -52.890
tors. eta vs tors. theta energy: -89.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1030.073383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.073383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.073383 (E_RNA)
where:
Base-Base interactions energy: -705.661
where: short stacking energy: -301.367
Base-Backbone interact. energy: -1.527
local terms energy: -322.885965
where:
bonds (distance) C4'-P energy: -62.262
bonds (distance) P-C4' energy: -65.806
flat angles C4'-P-C4' energy: -66.109
flat angles P-C4'-P energy: -49.866
tors. eta vs tors. theta energy: -78.843
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: 402
Temperature: 1.000000
Total energy: -950.557779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.557779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.557779 (E_RNA)
where:
Base-Base interactions energy: -646.079
where: short stacking energy: -267.556
Base-Backbone interact. energy: 0.489
local terms energy: -304.968164
where:
bonds (distance) C4'-P energy: -66.496
bonds (distance) P-C4' energy: -66.336
flat angles C4'-P-C4' energy: -57.978
flat angles P-C4'-P energy: -49.133
tors. eta vs tors. theta energy: -65.026
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: 4, replica: 9
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -928.354827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.354827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.354827 (E_RNA)
where:
Base-Base interactions energy: -631.450
where: short stacking energy: -268.518
Base-Backbone interact. energy: -1.457
local terms energy: -296.807971
where:
bonds (distance) C4'-P energy: -61.033
bonds (distance) P-C4' energy: -55.217
flat angles C4'-P-C4' energy: -55.170
flat angles P-C4'-P energy: -47.094
tors. eta vs tors. theta energy: -78.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.360 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -875.900889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.900889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.900889 (E_RNA)
where:
Base-Base interactions energy: -580.781
where: short stacking energy: -284.650
Base-Backbone interact. energy: 1.062
local terms energy: -296.182593
where:
bonds (distance) C4'-P energy: -49.095
bonds (distance) P-C4' energy: -68.865
flat angles C4'-P-C4' energy: -69.297
flat angles P-C4'-P energy: -36.552
tors. eta vs tors. theta energy: -72.373
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: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -819.395782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.395782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.395782 (E_RNA)
where:
Base-Base interactions energy: -523.045
where: short stacking energy: -241.649
Base-Backbone interact. energy: -0.248
local terms energy: -296.103326
where:
bonds (distance) C4'-P energy: -67.368
bonds (distance) P-C4' energy: -49.015
flat angles C4'-P-C4' energy: -71.775
flat angles P-C4'-P energy: -45.514
tors. eta vs tors. theta energy: -62.431
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: 6
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -627.230425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.230425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.230425 (E_RNA)
where:
Base-Base interactions energy: -382.412
where: short stacking energy: -179.785
Base-Backbone interact. energy: -1.627
local terms energy: -243.191157
where:
bonds (distance) C4'-P energy: -44.566
bonds (distance) P-C4' energy: -59.911
flat angles C4'-P-C4' energy: -66.218
flat angles P-C4'-P energy: -40.816
tors. eta vs tors. theta energy: -31.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -511.238598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.238598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.238598 (E_RNA)
where:
Base-Base interactions energy: -297.513
where: short stacking energy: -147.131
Base-Backbone interact. energy: -0.256
local terms energy: -213.629377
where:
bonds (distance) C4'-P energy: -50.890
bonds (distance) P-C4' energy: -62.668
flat angles C4'-P-C4' energy: -59.633
flat angles P-C4'-P energy: -23.098
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: 0.160 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -373.399372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.399372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.399372 (E_RNA)
where:
Base-Base interactions energy: -176.180
where: short stacking energy: -108.748
Base-Backbone interact. energy: -1.797
local terms energy: -195.422413
where:
bonds (distance) C4'-P energy: -54.634
bonds (distance) P-C4' energy: -63.445
flat angles C4'-P-C4' energy: -47.120
flat angles P-C4'-P energy: -35.667
tors. eta vs tors. theta energy: 5.443
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: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -442.182121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.182121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.182121 (E_RNA)
where:
Base-Base interactions energy: -239.844
where: short stacking energy: -118.162
Base-Backbone interact. energy: 5.901
local terms energy: -208.239337
where:
bonds (distance) C4'-P energy: -57.333
bonds (distance) P-C4' energy: -44.331
flat angles C4'-P-C4' energy: -53.826
flat angles P-C4'-P energy: -41.607
tors. eta vs tors. theta energy: -11.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1109.041742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.041742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.041742 (E_RNA)
where:
Base-Base interactions energy: -780.547
where: short stacking energy: -316.880
Base-Backbone interact. energy: -1.860
local terms energy: -326.634811
where:
bonds (distance) C4'-P energy: -54.960
bonds (distance) P-C4' energy: -61.652
flat angles C4'-P-C4' energy: -72.581
flat angles P-C4'-P energy: -49.040
tors. eta vs tors. theta energy: -88.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1039.146928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.146928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.146928 (E_RNA)
where:
Base-Base interactions energy: -714.526
where: short stacking energy: -312.015
Base-Backbone interact. energy: 0.053
local terms energy: -324.673819
where:
bonds (distance) C4'-P energy: -56.640
bonds (distance) P-C4' energy: -55.663
flat angles C4'-P-C4' energy: -75.270
flat angles P-C4'-P energy: -48.324
tors. eta vs tors. theta energy: -88.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -954.275620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.275620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.275620 (E_RNA)
where:
Base-Base interactions energy: -653.310
where: short stacking energy: -254.219
Base-Backbone interact. energy: 0.061
local terms energy: -301.026258
where:
bonds (distance) C4'-P energy: -66.694
bonds (distance) P-C4' energy: -68.864
flat angles C4'-P-C4' energy: -70.730
flat angles P-C4'-P energy: -27.701
tors. eta vs tors. theta energy: -67.037
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: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -903.509428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.509428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.509428 (E_RNA)
where:
Base-Base interactions energy: -607.268
where: short stacking energy: -290.116
Base-Backbone interact. energy: -1.353
local terms energy: -294.888695
where:
bonds (distance) C4'-P energy: -57.552
bonds (distance) P-C4' energy: -56.439
flat angles C4'-P-C4' energy: -69.229
flat angles P-C4'-P energy: -36.388
tors. eta vs tors. theta energy: -75.281
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: 9
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -893.255047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.255047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.255047 (E_RNA)
where:
Base-Base interactions energy: -597.981
where: short stacking energy: -234.720
Base-Backbone interact. energy: -1.641
local terms energy: -293.808685
where:
bonds (distance) C4'-P energy: -63.101
bonds (distance) P-C4' energy: -64.901
flat angles C4'-P-C4' energy: -55.638
flat angles P-C4'-P energy: -45.211
tors. eta vs tors. theta energy: -64.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.176 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -793.587296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.587296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.587296 (E_RNA)
where:
Base-Base interactions energy: -497.523
where: short stacking energy: -247.432
Base-Backbone interact. energy: 1.875
local terms energy: -297.939483
where:
bonds (distance) C4'-P energy: -56.507
bonds (distance) P-C4' energy: -55.511
flat angles C4'-P-C4' energy: -60.098
flat angles P-C4'-P energy: -47.671
tors. eta vs tors. theta energy: -78.153
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: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -608.622703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.622703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.622703 (E_RNA)
where:
Base-Base interactions energy: -391.970
where: short stacking energy: -176.240
Base-Backbone interact. energy: 3.523
local terms energy: -220.175697
where:
bonds (distance) C4'-P energy: -48.578
bonds (distance) P-C4' energy: -49.492
flat angles C4'-P-C4' energy: -58.347
flat angles P-C4'-P energy: -38.119
tors. eta vs tors. theta energy: -25.640
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: 3
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -551.821724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.821724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.821724 (E_RNA)
where:
Base-Base interactions energy: -325.985
where: short stacking energy: -144.858
Base-Backbone interact. energy: -0.105
local terms energy: -225.985013
where:
bonds (distance) C4'-P energy: -61.576
bonds (distance) P-C4' energy: -48.395
flat angles C4'-P-C4' energy: -57.986
flat angles P-C4'-P energy: -38.876
tors. eta vs tors. theta energy: -19.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.253 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -382.897011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.897011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.897011 (E_RNA)
where:
Base-Base interactions energy: -194.576
where: short stacking energy: -112.761
Base-Backbone interact. energy: 1.286
local terms energy: -189.607662
where:
bonds (distance) C4'-P energy: -63.980
bonds (distance) P-C4' energy: -46.203
flat angles C4'-P-C4' energy: -49.370
flat angles P-C4'-P energy: -22.882
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -405.231514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.231514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.231514 (E_RNA)
where:
Base-Base interactions energy: -232.173
where: short stacking energy: -109.500
Base-Backbone interact. energy: 0.012
local terms energy: -173.070452
where:
bonds (distance) C4'-P energy: -46.703
bonds (distance) P-C4' energy: -52.855
flat angles C4'-P-C4' energy: -45.732
flat angles P-C4'-P energy: -28.732
tors. eta vs tors. theta energy: 0.952
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: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1069.684002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.684002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.684002 (E_RNA)
where:
Base-Base interactions energy: -713.725
where: short stacking energy: -322.299
Base-Backbone interact. energy: -2.750
local terms energy: -353.208952
where:
bonds (distance) C4'-P energy: -61.426
bonds (distance) P-C4' energy: -65.080
flat angles C4'-P-C4' energy: -76.501
flat angles P-C4'-P energy: -57.143
tors. eta vs tors. theta energy: -93.058
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: 2, replica: 8
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1077.094440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.094440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.094440 (E_RNA)
where:
Base-Base interactions energy: -738.038
where: short stacking energy: -318.969
Base-Backbone interact. energy: 1.727
local terms energy: -340.783667
where:
bonds (distance) C4'-P energy: -73.238
bonds (distance) P-C4' energy: -57.905
flat angles C4'-P-C4' energy: -73.644
flat angles P-C4'-P energy: -47.863
tors. eta vs tors. theta energy: -88.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -965.143867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.143867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.143867 (E_RNA)
where:
Base-Base interactions energy: -636.094
where: short stacking energy: -276.881
Base-Backbone interact. energy: -2.418
local terms energy: -326.632362
where:
bonds (distance) C4'-P energy: -70.946
bonds (distance) P-C4' energy: -63.938
flat angles C4'-P-C4' energy: -66.183
flat angles P-C4'-P energy: -55.291
tors. eta vs tors. theta energy: -70.275
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: 4, replica: 10
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -911.835133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.835133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.835133 (E_RNA)
where:
Base-Base interactions energy: -585.549
where: short stacking energy: -267.867
Base-Backbone interact. energy: -0.532
local terms energy: -325.754301
where:
bonds (distance) C4'-P energy: -64.237
bonds (distance) P-C4' energy: -65.577
flat angles C4'-P-C4' energy: -70.462
flat angles P-C4'-P energy: -45.129
tors. eta vs tors. theta energy: -80.350
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: 5, replica: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -889.756975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.756975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.756975 (E_RNA)
where:
Base-Base interactions energy: -610.541
where: short stacking energy: -249.412
Base-Backbone interact. energy: -1.281
local terms energy: -277.934799
where:
bonds (distance) C4'-P energy: -57.124
bonds (distance) P-C4' energy: -55.841
flat angles C4'-P-C4' energy: -63.765
flat angles P-C4'-P energy: -40.664
tors. eta vs tors. theta energy: -60.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -804.467369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.467369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.467369 (E_RNA)
where:
Base-Base interactions energy: -510.772
where: short stacking energy: -224.475
Base-Backbone interact. energy: -2.917
local terms energy: -290.778485
where:
bonds (distance) C4'-P energy: -62.212
bonds (distance) P-C4' energy: -56.929
flat angles C4'-P-C4' energy: -68.223
flat angles P-C4'-P energy: -48.161
tors. eta vs tors. theta energy: -55.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -603.388966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.388966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.388966 (E_RNA)
where:
Base-Base interactions energy: -369.324
where: short stacking energy: -179.986
Base-Backbone interact. energy: 3.376
local terms energy: -237.441170
where:
bonds (distance) C4'-P energy: -53.220
bonds (distance) P-C4' energy: -52.655
flat angles C4'-P-C4' energy: -59.376
flat angles P-C4'-P energy: -32.636
tors. eta vs tors. theta energy: -39.555
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: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -603.487476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.487476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.487476 (E_RNA)
where:
Base-Base interactions energy: -369.794
where: short stacking energy: -159.003
Base-Backbone interact. energy: -1.084
local terms energy: -234.449002
where:
bonds (distance) C4'-P energy: -65.054
bonds (distance) P-C4' energy: -58.872
flat angles C4'-P-C4' energy: -46.848
flat angles P-C4'-P energy: -35.028
tors. eta vs tors. theta energy: -28.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.840 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -359.225170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.225170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.225170 (E_RNA)
where:
Base-Base interactions energy: -175.355
where: short stacking energy: -115.604
Base-Backbone interact. energy: 0.454
local terms energy: -184.323485
where:
bonds (distance) C4'-P energy: -57.758
bonds (distance) P-C4' energy: -49.430
flat angles C4'-P-C4' energy: -52.281
flat angles P-C4'-P energy: -19.216
tors. eta vs tors. theta energy: -5.638
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: 1
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -341.526827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.526827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.526827 (E_RNA)
where:
Base-Base interactions energy: -145.594
where: short stacking energy: -87.199
Base-Backbone interact. energy: 0.405
local terms energy: -196.337176
where:
bonds (distance) C4'-P energy: -60.627
bonds (distance) P-C4' energy: -59.556
flat angles C4'-P-C4' energy: -32.383
flat angles P-C4'-P energy: -37.856
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1049.909927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.909927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.909927 (E_RNA)
where:
Base-Base interactions energy: -717.198
where: short stacking energy: -290.484
Base-Backbone interact. energy: 1.027
local terms energy: -333.739061
where:
bonds (distance) C4'-P energy: -63.170
bonds (distance) P-C4' energy: -71.471
flat angles C4'-P-C4' energy: -71.350
flat angles P-C4'-P energy: -47.462
tors. eta vs tors. theta energy: -80.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1063.282738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.282738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.282738 (E_RNA)
where:
Base-Base interactions energy: -729.095
where: short stacking energy: -303.337
Base-Backbone interact. energy: -3.343
local terms energy: -330.844573
where:
bonds (distance) C4'-P energy: -58.550
bonds (distance) P-C4' energy: -63.949
flat angles C4'-P-C4' energy: -74.343
flat angles P-C4'-P energy: -48.304
tors. eta vs tors. theta energy: -85.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -977.324179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.324179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.324179 (E_RNA)
where:
Base-Base interactions energy: -655.251
where: short stacking energy: -270.839
Base-Backbone interact. energy: -2.793
local terms energy: -319.280803
where:
bonds (distance) C4'-P energy: -65.554
bonds (distance) P-C4' energy: -61.020
flat angles C4'-P-C4' energy: -64.840
flat angles P-C4'-P energy: -51.391
tors. eta vs tors. theta energy: -76.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -920.328268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.328268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.328268 (E_RNA)
where:
Base-Base interactions energy: -614.870
where: short stacking energy: -260.943
Base-Backbone interact. energy: -1.593
local terms energy: -303.865490
where:
bonds (distance) C4'-P energy: -58.829
bonds (distance) P-C4' energy: -66.840
flat angles C4'-P-C4' energy: -66.256
flat angles P-C4'-P energy: -35.693
tors. eta vs tors. theta energy: -76.247
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: 10
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -842.399105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.399105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.399105 (E_RNA)
where:
Base-Base interactions energy: -549.193
where: short stacking energy: -243.000
Base-Backbone interact. energy: -0.709
local terms energy: -292.497497
where:
bonds (distance) C4'-P energy: -57.945
bonds (distance) P-C4' energy: -57.312
flat angles C4'-P-C4' energy: -66.493
flat angles P-C4'-P energy: -40.763
tors. eta vs tors. theta energy: -69.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -812.252707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.252707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.252707 (E_RNA)
where:
Base-Base interactions energy: -517.273
where: short stacking energy: -239.730
Base-Backbone interact. energy: -1.488
local terms energy: -293.491631
where:
bonds (distance) C4'-P energy: -58.124
bonds (distance) P-C4' energy: -47.843
flat angles C4'-P-C4' energy: -69.227
flat angles P-C4'-P energy: -42.305
tors. eta vs tors. theta energy: -75.992
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: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -626.722146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.722146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.722146 (E_RNA)
where:
Base-Base interactions energy: -414.335
where: short stacking energy: -169.544
Base-Backbone interact. energy: -1.322
local terms energy: -211.064420
where:
bonds (distance) C4'-P energy: -45.267
bonds (distance) P-C4' energy: -41.185
flat angles C4'-P-C4' energy: -46.771
flat angles P-C4'-P energy: -37.407
tors. eta vs tors. theta energy: -40.435
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: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -621.829718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.829718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.829718 (E_RNA)
where:
Base-Base interactions energy: -402.014
where: short stacking energy: -169.882
Base-Backbone interact. energy: -1.913
local terms energy: -217.902173
where:
bonds (distance) C4'-P energy: -43.854
bonds (distance) P-C4' energy: -57.478
flat angles C4'-P-C4' energy: -50.039
flat angles P-C4'-P energy: -37.177
tors. eta vs tors. theta energy: -29.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -345.011000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.011000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.011000 (E_RNA)
where:
Base-Base interactions energy: -166.447
where: short stacking energy: -118.646
Base-Backbone interact. energy: 1.939
local terms energy: -180.503831
where:
bonds (distance) C4'-P energy: -42.591
bonds (distance) P-C4' energy: -53.791
flat angles C4'-P-C4' energy: -61.195
flat angles P-C4'-P energy: -21.930
tors. eta vs tors. theta energy: -0.997
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: 10, replica: 1
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -320.763513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.763513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.763513 (E_RNA)
where:
Base-Base interactions energy: -150.381
where: short stacking energy: -97.182
Base-Backbone interact. energy: -0.463
local terms energy: -169.919994
where:
bonds (distance) C4'-P energy: -51.322
bonds (distance) P-C4' energy: -54.435
flat angles C4'-P-C4' energy: -49.346
flat angles P-C4'-P energy: -22.705
tors. eta vs tors. theta energy: 7.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1079.503280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.503280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.503280 (E_RNA)
where:
Base-Base interactions energy: -739.441
where: short stacking energy: -324.516
Base-Backbone interact. energy: -0.477
local terms energy: -339.584568
where:
bonds (distance) C4'-P energy: -64.792
bonds (distance) P-C4' energy: -69.769
flat angles C4'-P-C4' energy: -63.364
flat angles P-C4'-P energy: -48.463
tors. eta vs tors. theta energy: -93.197
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: 4
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1048.710208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.710208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.710208 (E_RNA)
where:
Base-Base interactions energy: -711.595
where: short stacking energy: -308.147
Base-Backbone interact. energy: -1.781
local terms energy: -335.334940
where:
bonds (distance) C4'-P energy: -67.482
bonds (distance) P-C4' energy: -62.523
flat angles C4'-P-C4' energy: -67.253
flat angles P-C4'-P energy: -50.526
tors. eta vs tors. theta energy: -87.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -981.658295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.658295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.658295 (E_RNA)
where:
Base-Base interactions energy: -669.371
where: short stacking energy: -279.188
Base-Backbone interact. energy: -3.206
local terms energy: -309.080608
where:
bonds (distance) C4'-P energy: -68.688
bonds (distance) P-C4' energy: -60.544
flat angles C4'-P-C4' energy: -60.013
flat angles P-C4'-P energy: -42.980
tors. eta vs tors. theta energy: -76.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -907.219726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.219726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.219726 (E_RNA)
where:
Base-Base interactions energy: -623.888
where: short stacking energy: -273.930
Base-Backbone interact. energy: -1.153
local terms energy: -282.179402
where:
bonds (distance) C4'-P energy: -61.676
bonds (distance) P-C4' energy: -52.492
flat angles C4'-P-C4' energy: -64.092
flat angles P-C4'-P energy: -32.544
tors. eta vs tors. theta energy: -71.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -829.596921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.596921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.596921 (E_RNA)
where:
Base-Base interactions energy: -532.737
where: short stacking energy: -227.284
Base-Backbone interact. energy: 0.675
local terms energy: -297.534318
where:
bonds (distance) C4'-P energy: -58.785
bonds (distance) P-C4' energy: -67.526
flat angles C4'-P-C4' energy: -66.470
flat angles P-C4'-P energy: -45.289
tors. eta vs tors. theta energy: -59.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -837.593880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.593880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.593880 (E_RNA)
where:
Base-Base interactions energy: -557.189
where: short stacking energy: -243.108
Base-Backbone interact. energy: -1.460
local terms energy: -278.945541
where:
bonds (distance) C4'-P energy: -52.748
bonds (distance) P-C4' energy: -62.500
flat angles C4'-P-C4' energy: -64.662
flat angles P-C4'-P energy: -33.668
tors. eta vs tors. theta energy: -65.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -713.012075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.012075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.012075 (E_RNA)
where:
Base-Base interactions energy: -476.009
where: short stacking energy: -210.136
Base-Backbone interact. energy: -1.536
local terms energy: -235.466883
where:
bonds (distance) C4'-P energy: -56.123
bonds (distance) P-C4' energy: -53.455
flat angles C4'-P-C4' energy: -56.591
flat angles P-C4'-P energy: -29.748
tors. eta vs tors. theta energy: -39.551
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: 3
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -573.741221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.741221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.741221 (E_RNA)
where:
Base-Base interactions energy: -335.190
where: short stacking energy: -152.356
Base-Backbone interact. energy: -1.191
local terms energy: -237.359941
where:
bonds (distance) C4'-P energy: -50.764
bonds (distance) P-C4' energy: -63.155
flat angles C4'-P-C4' energy: -53.781
flat angles P-C4'-P energy: -38.747
tors. eta vs tors. theta energy: -30.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -341.826465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.826465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.826465 (E_RNA)
where:
Base-Base interactions energy: -161.532
where: short stacking energy: -88.395
Base-Backbone interact. energy: 2.348
local terms energy: -182.642489
where:
bonds (distance) C4'-P energy: -52.324
bonds (distance) P-C4' energy: -46.085
flat angles C4'-P-C4' energy: -49.288
flat angles P-C4'-P energy: -35.832
tors. eta vs tors. theta energy: 0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -339.268076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.268076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.268076 (E_RNA)
where:
Base-Base interactions energy: -158.244
where: short stacking energy: -89.108
Base-Backbone interact. energy: -0.313
local terms energy: -180.711315
where:
bonds (distance) C4'-P energy: -56.338
bonds (distance) P-C4' energy: -59.001
flat angles C4'-P-C4' energy: -48.805
flat angles P-C4'-P energy: -29.488
tors. eta vs tors. theta energy: 12.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1083.208309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.208309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.208309 (E_RNA)
where:
Base-Base interactions energy: -746.098
where: short stacking energy: -315.145
Base-Backbone interact. energy: 3.143
local terms energy: -340.253303
where:
bonds (distance) C4'-P energy: -63.993
bonds (distance) P-C4' energy: -64.986
flat angles C4'-P-C4' energy: -77.824
flat angles P-C4'-P energy: -50.741
tors. eta vs tors. theta energy: -82.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1031.245009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.245009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.245009 (E_RNA)
where:
Base-Base interactions energy: -695.027
where: short stacking energy: -301.735
Base-Backbone interact. energy: -3.277
local terms energy: -332.941064
where:
bonds (distance) C4'-P energy: -67.641
bonds (distance) P-C4' energy: -66.622
flat angles C4'-P-C4' energy: -73.298
flat angles P-C4'-P energy: -37.874
tors. eta vs tors. theta energy: -87.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -957.036064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.036064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.036064 (E_RNA)
where:
Base-Base interactions energy: -666.970
where: short stacking energy: -266.315
Base-Backbone interact. energy: 1.823
local terms energy: -291.888572
where:
bonds (distance) C4'-P energy: -62.540
bonds (distance) P-C4' energy: -60.112
flat angles C4'-P-C4' energy: -59.466
flat angles P-C4'-P energy: -44.934
tors. eta vs tors. theta energy: -64.836
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: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -927.387410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.387410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.387410 (E_RNA)
where:
Base-Base interactions energy: -614.440
where: short stacking energy: -279.641
Base-Backbone interact. energy: 3.617
local terms energy: -316.605921
where:
bonds (distance) C4'-P energy: -62.416
bonds (distance) P-C4' energy: -56.603
flat angles C4'-P-C4' energy: -70.411
flat angles P-C4'-P energy: -43.201
tors. eta vs tors. theta energy: -83.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.042 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -821.542682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.542682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.542682 (E_RNA)
where:
Base-Base interactions energy: -536.481
where: short stacking energy: -218.557
Base-Backbone interact. energy: -1.152
local terms energy: -283.909900
where:
bonds (distance) C4'-P energy: -57.744
bonds (distance) P-C4' energy: -69.558
flat angles C4'-P-C4' energy: -58.147
flat angles P-C4'-P energy: -43.967
tors. eta vs tors. theta energy: -54.495
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: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -836.325832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.325832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.325832 (E_RNA)
where:
Base-Base interactions energy: -539.494
where: short stacking energy: -234.382
Base-Backbone interact. energy: 1.909
local terms energy: -298.740760
where:
bonds (distance) C4'-P energy: -59.307
bonds (distance) P-C4' energy: -61.676
flat angles C4'-P-C4' energy: -63.924
flat angles P-C4'-P energy: -44.467
tors. eta vs tors. theta energy: -69.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -733.476064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.476064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.476064 (E_RNA)
where:
Base-Base interactions energy: -463.208
where: short stacking energy: -207.711
Base-Backbone interact. energy: 1.521
local terms energy: -271.788477
where:
bonds (distance) C4'-P energy: -56.697
bonds (distance) P-C4' energy: -60.979
flat angles C4'-P-C4' energy: -67.176
flat angles P-C4'-P energy: -36.101
tors. eta vs tors. theta energy: -50.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -561.676229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.676229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.676229 (E_RNA)
where:
Base-Base interactions energy: -355.739
where: short stacking energy: -160.755
Base-Backbone interact. energy: -1.326
local terms energy: -204.611073
where:
bonds (distance) C4'-P energy: -48.426
bonds (distance) P-C4' energy: -58.355
flat angles C4'-P-C4' energy: -55.020
flat angles P-C4'-P energy: -29.034
tors. eta vs tors. theta energy: -13.776
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: 407
Temperature: 1.300000
Total energy: -402.064183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.064183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.064183 (E_RNA)
where:
Base-Base interactions energy: -208.530
where: short stacking energy: -111.113
Base-Backbone interact. energy: 1.616
local terms energy: -195.150149
where:
bonds (distance) C4'-P energy: -53.193
bonds (distance) P-C4' energy: -70.484
flat angles C4'-P-C4' energy: -38.550
flat angles P-C4'-P energy: -35.176
tors. eta vs tors. theta energy: 2.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -342.232153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.232153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.232153 (E_RNA)
where:
Base-Base interactions energy: -149.965
where: short stacking energy: -105.226
Base-Backbone interact. energy: -2.064
local terms energy: -190.203208
where:
bonds (distance) C4'-P energy: -50.417
bonds (distance) P-C4' energy: -47.087
flat angles C4'-P-C4' energy: -59.504
flat angles P-C4'-P energy: -26.611
tors. eta vs tors. theta energy: -6.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1077.892027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.892027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.892027 (E_RNA)
where:
Base-Base interactions energy: -739.820
where: short stacking energy: -293.528
Base-Backbone interact. energy: 0.435
local terms energy: -338.506701
where:
bonds (distance) C4'-P energy: -63.207
bonds (distance) P-C4' energy: -65.167
flat angles C4'-P-C4' energy: -76.541
flat angles P-C4'-P energy: -42.790
tors. eta vs tors. theta energy: -90.802
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: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1018.340442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.340442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.340442 (E_RNA)
where:
Base-Base interactions energy: -709.498
where: short stacking energy: -305.565
Base-Backbone interact. energy: -4.355
local terms energy: -304.487642
where:
bonds (distance) C4'-P energy: -60.895
bonds (distance) P-C4' energy: -55.957
flat angles C4'-P-C4' energy: -63.477
flat angles P-C4'-P energy: -42.815
tors. eta vs tors. theta energy: -81.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -967.216611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.216611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.216611 (E_RNA)
where:
Base-Base interactions energy: -655.324
where: short stacking energy: -300.610
Base-Backbone interact. energy: -2.485
local terms energy: -309.407656
where:
bonds (distance) C4'-P energy: -59.486
bonds (distance) P-C4' energy: -56.157
flat angles C4'-P-C4' energy: -72.241
flat angles P-C4'-P energy: -52.036
tors. eta vs tors. theta energy: -69.488
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: 9
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -924.881605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.881605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.881605 (E_RNA)
where:
Base-Base interactions energy: -627.253
where: short stacking energy: -279.421
Base-Backbone interact. energy: -0.730
local terms energy: -296.898293
where:
bonds (distance) C4'-P energy: -66.989
bonds (distance) P-C4' energy: -62.136
flat angles C4'-P-C4' energy: -66.075
flat angles P-C4'-P energy: -33.168
tors. eta vs tors. theta energy: -68.531
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: 10
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -850.087369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.087369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.087369 (E_RNA)
where:
Base-Base interactions energy: -565.123
where: short stacking energy: -265.545
Base-Backbone interact. energy: -1.319
local terms energy: -283.645128
where:
bonds (distance) C4'-P energy: -49.579
bonds (distance) P-C4' energy: -55.919
flat angles C4'-P-C4' energy: -53.676
flat angles P-C4'-P energy: -43.931
tors. eta vs tors. theta energy: -80.539
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: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -806.311217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.311217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.311217 (E_RNA)
where:
Base-Base interactions energy: -544.075
where: short stacking energy: -244.108
Base-Backbone interact. energy: -0.008
local terms energy: -262.227898
where:
bonds (distance) C4'-P energy: -56.056
bonds (distance) P-C4' energy: -60.650
flat angles C4'-P-C4' energy: -47.679
flat angles P-C4'-P energy: -46.217
tors. eta vs tors. theta energy: -51.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -764.562593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.562593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.562593 (E_RNA)
where:
Base-Base interactions energy: -512.381
where: short stacking energy: -215.566
Base-Backbone interact. energy: -0.301
local terms energy: -251.881316
where:
bonds (distance) C4'-P energy: -57.880
bonds (distance) P-C4' energy: -49.837
flat angles C4'-P-C4' energy: -44.936
flat angles P-C4'-P energy: -41.019
tors. eta vs tors. theta energy: -58.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -601.983409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.983409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.983409 (E_RNA)
where:
Base-Base interactions energy: -382.120
where: short stacking energy: -182.237
Base-Backbone interact. energy: 1.383
local terms energy: -221.246292
where:
bonds (distance) C4'-P energy: -51.796
bonds (distance) P-C4' energy: -53.760
flat angles C4'-P-C4' energy: -51.317
flat angles P-C4'-P energy: -32.814
tors. eta vs tors. theta energy: -31.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -357.844434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.844434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.844434 (E_RNA)
where:
Base-Base interactions energy: -156.366
where: short stacking energy: -104.181
Base-Backbone interact. energy: -2.421
local terms energy: -199.057561
where:
bonds (distance) C4'-P energy: -49.718
bonds (distance) P-C4' energy: -54.812
flat angles C4'-P-C4' energy: -54.468
flat angles P-C4'-P energy: -36.837
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -338.745505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.745505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.745505 (E_RNA)
where:
Base-Base interactions energy: -166.952
where: short stacking energy: -93.200
Base-Backbone interact. energy: 2.971
local terms energy: -174.764636
where:
bonds (distance) C4'-P energy: -39.591
bonds (distance) P-C4' energy: -60.060
flat angles C4'-P-C4' energy: -52.960
flat angles P-C4'-P energy: -28.238
tors. eta vs tors. theta energy: 6.084
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: 8
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1091.381076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.381076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.381076 (E_RNA)
where:
Base-Base interactions energy: -761.123
where: short stacking energy: -321.336
Base-Backbone interact. energy: -4.064
local terms energy: -326.194102
where:
bonds (distance) C4'-P energy: -58.959
bonds (distance) P-C4' energy: -66.488
flat angles C4'-P-C4' energy: -76.277
flat angles P-C4'-P energy: -34.409
tors. eta vs tors. theta energy: -90.062
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: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1042.373705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.373705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.373705 (E_RNA)
where:
Base-Base interactions energy: -704.079
where: short stacking energy: -319.620
Base-Backbone interact. energy: -2.493
local terms energy: -335.800970
where:
bonds (distance) C4'-P energy: -70.480
bonds (distance) P-C4' energy: -60.899
flat angles C4'-P-C4' energy: -76.797
flat angles P-C4'-P energy: -45.994
tors. eta vs tors. theta energy: -81.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -963.576131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.576131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.576131 (E_RNA)
where:
Base-Base interactions energy: -646.481
where: short stacking energy: -271.611
Base-Backbone interact. energy: -1.848
local terms energy: -315.246375
where:
bonds (distance) C4'-P energy: -62.482
bonds (distance) P-C4' energy: -59.646
flat angles C4'-P-C4' energy: -69.806
flat angles P-C4'-P energy: -53.293
tors. eta vs tors. theta energy: -70.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -930.660968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.660968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.660968 (E_RNA)
where:
Base-Base interactions energy: -649.287
where: short stacking energy: -287.710
Base-Backbone interact. energy: -1.464
local terms energy: -279.909656
where:
bonds (distance) C4'-P energy: -63.617
bonds (distance) P-C4' energy: -52.137
flat angles C4'-P-C4' energy: -55.809
flat angles P-C4'-P energy: -32.186
tors. eta vs tors. theta energy: -76.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -851.504334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.504334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.504334 (E_RNA)
where:
Base-Base interactions energy: -545.005
where: short stacking energy: -235.567
Base-Backbone interact. energy: -1.867
local terms energy: -304.631624
where:
bonds (distance) C4'-P energy: -63.150
bonds (distance) P-C4' energy: -65.869
flat angles C4'-P-C4' energy: -66.976
flat angles P-C4'-P energy: -39.463
tors. eta vs tors. theta energy: -69.174
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: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -742.778726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.778726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.778726 (E_RNA)
where:
Base-Base interactions energy: -474.199
where: short stacking energy: -212.563
Base-Backbone interact. energy: -1.098
local terms energy: -267.481970
where:
bonds (distance) C4'-P energy: -59.851
bonds (distance) P-C4' energy: -57.878
flat angles C4'-P-C4' energy: -64.639
flat angles P-C4'-P energy: -35.909
tors. eta vs tors. theta energy: -49.206
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: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -728.570987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.570987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.570987 (E_RNA)
where:
Base-Base interactions energy: -490.678
where: short stacking energy: -214.683
Base-Backbone interact. energy: -0.110
local terms energy: -237.783090
where:
bonds (distance) C4'-P energy: -37.579
bonds (distance) P-C4' energy: -53.841
flat angles C4'-P-C4' energy: -56.609
flat angles P-C4'-P energy: -36.638
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: 3
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -541.099321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.099321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.099321 (E_RNA)
where:
Base-Base interactions energy: -331.554
where: short stacking energy: -159.088
Base-Backbone interact. energy: 0.086
local terms energy: -209.631633
where:
bonds (distance) C4'-P energy: -45.668
bonds (distance) P-C4' energy: -49.950
flat angles C4'-P-C4' energy: -52.480
flat angles P-C4'-P energy: -31.551
tors. eta vs tors. theta energy: -29.983
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: 409
Temperature: 1.300000
Total energy: -353.535598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.535598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.535598 (E_RNA)
where:
Base-Base interactions energy: -159.733
where: short stacking energy: -108.534
Base-Backbone interact. energy: -0.505
local terms energy: -193.297225
where:
bonds (distance) C4'-P energy: -59.116
bonds (distance) P-C4' energy: -65.231
flat angles C4'-P-C4' energy: -48.895
flat angles P-C4'-P energy: -24.762
tors. eta vs tors. theta energy: 4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -322.117803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.117803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.117803 (E_RNA)
where:
Base-Base interactions energy: -145.836
where: short stacking energy: -86.794
Base-Backbone interact. energy: 0.934
local terms energy: -177.216210
where:
bonds (distance) C4'-P energy: -45.526
bonds (distance) P-C4' energy: -55.864
flat angles C4'-P-C4' energy: -54.131
flat angles P-C4'-P energy: -31.221
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: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1086.737623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.737623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.737623 (E_RNA)
where:
Base-Base interactions energy: -731.562
where: short stacking energy: -320.942
Base-Backbone interact. energy: -1.873
local terms energy: -353.302181
where:
bonds (distance) C4'-P energy: -65.615
bonds (distance) P-C4' energy: -69.857
flat angles C4'-P-C4' energy: -80.129
flat angles P-C4'-P energy: -44.791
tors. eta vs tors. theta energy: -92.910
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: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1026.814867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.814867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.814867 (E_RNA)
where:
Base-Base interactions energy: -701.238
where: short stacking energy: -303.066
Base-Backbone interact. energy: -2.952
local terms energy: -322.625462
where:
bonds (distance) C4'-P energy: -54.681
bonds (distance) P-C4' energy: -72.257
flat angles C4'-P-C4' energy: -69.970
flat angles P-C4'-P energy: -39.661
tors. eta vs tors. theta energy: -86.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -956.696617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.696617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.696617 (E_RNA)
where:
Base-Base interactions energy: -651.154
where: short stacking energy: -273.911
Base-Backbone interact. energy: -2.384
local terms energy: -303.159091
where:
bonds (distance) C4'-P energy: -49.283
bonds (distance) P-C4' energy: -65.754
flat angles C4'-P-C4' energy: -64.514
flat angles P-C4'-P energy: -44.243
tors. eta vs tors. theta energy: -79.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -939.469011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.469011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.469011 (E_RNA)
where:
Base-Base interactions energy: -622.136
where: short stacking energy: -295.072
Base-Backbone interact. energy: -1.755
local terms energy: -315.578541
where:
bonds (distance) C4'-P energy: -65.856
bonds (distance) P-C4' energy: -53.689
flat angles C4'-P-C4' energy: -65.620
flat angles P-C4'-P energy: -50.513
tors. eta vs tors. theta energy: -79.901
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: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -874.629152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.629152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.629152 (E_RNA)
where:
Base-Base interactions energy: -587.026
where: short stacking energy: -248.029
Base-Backbone interact. energy: -0.054
local terms energy: -287.548898
where:
bonds (distance) C4'-P energy: -62.457
bonds (distance) P-C4' energy: -54.938
flat angles C4'-P-C4' energy: -61.646
flat angles P-C4'-P energy: -43.386
tors. eta vs tors. theta energy: -65.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -718.352289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.352289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.352289 (E_RNA)
where:
Base-Base interactions energy: -463.708
where: short stacking energy: -219.317
Base-Backbone interact. energy: -1.594
local terms energy: -253.050368
where:
bonds (distance) C4'-P energy: -42.290
bonds (distance) P-C4' energy: -59.698
flat angles C4'-P-C4' energy: -57.548
flat angles P-C4'-P energy: -38.404
tors. eta vs tors. theta energy: -55.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -668.794162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.794162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.794162 (E_RNA)
where:
Base-Base interactions energy: -436.631
where: short stacking energy: -194.769
Base-Backbone interact. energy: -1.543
local terms energy: -230.619563
where:
bonds (distance) C4'-P energy: -43.481
bonds (distance) P-C4' energy: -49.010
flat angles C4'-P-C4' energy: -57.310
flat angles P-C4'-P energy: -44.049
tors. eta vs tors. theta energy: -36.768
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: 8, replica: 3
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -549.369687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.369687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.369687 (E_RNA)
where:
Base-Base interactions energy: -324.001
where: short stacking energy: -144.955
Base-Backbone interact. energy: 0.296
local terms energy: -225.676026
where:
bonds (distance) C4'-P energy: -64.963
bonds (distance) P-C4' energy: -62.381
flat angles C4'-P-C4' energy: -56.195
flat angles P-C4'-P energy: -37.813
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.011 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -351.089293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.089293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.089293 (E_RNA)
where:
Base-Base interactions energy: -169.559
where: short stacking energy: -108.971
Base-Backbone interact. energy: -0.421
local terms energy: -181.109489
where:
bonds (distance) C4'-P energy: -47.235
bonds (distance) P-C4' energy: -48.751
flat angles C4'-P-C4' energy: -52.879
flat angles P-C4'-P energy: -31.925
tors. eta vs tors. theta energy: -0.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -327.976955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.976955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.976955 (E_RNA)
where:
Base-Base interactions energy: -130.831
where: short stacking energy: -88.071
Base-Backbone interact. energy: 0.491
local terms energy: -197.636132
where:
bonds (distance) C4'-P energy: -47.914
bonds (distance) P-C4' energy: -49.212
flat angles C4'-P-C4' energy: -61.217
flat angles P-C4'-P energy: -33.414
tors. eta vs tors. theta energy: -5.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1083.828312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.828312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.828312 (E_RNA)
where:
Base-Base interactions energy: -741.099
where: short stacking energy: -326.233
Base-Backbone interact. energy: -0.750
local terms energy: -341.979658
where:
bonds (distance) C4'-P energy: -68.536
bonds (distance) P-C4' energy: -70.509
flat angles C4'-P-C4' energy: -69.420
flat angles P-C4'-P energy: -41.071
tors. eta vs tors. theta energy: -92.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1009.634501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.634501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.634501 (E_RNA)
where:
Base-Base interactions energy: -693.607
where: short stacking energy: -309.322
Base-Backbone interact. energy: -1.583
local terms energy: -314.448095
where:
bonds (distance) C4'-P energy: -54.908
bonds (distance) P-C4' energy: -63.878
flat angles C4'-P-C4' energy: -63.485
flat angles P-C4'-P energy: -46.886
tors. eta vs tors. theta energy: -85.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.004 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -964.774362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.774362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.774362 (E_RNA)
where:
Base-Base interactions energy: -643.788
where: short stacking energy: -273.763
Base-Backbone interact. energy: 0.038
local terms energy: -321.024579
where:
bonds (distance) C4'-P energy: -58.742
bonds (distance) P-C4' energy: -72.035
flat angles C4'-P-C4' energy: -72.108
flat angles P-C4'-P energy: -44.245
tors. eta vs tors. theta energy: -73.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -950.354704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.354704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.354704 (E_RNA)
where:
Base-Base interactions energy: -648.452
where: short stacking energy: -286.398
Base-Backbone interact. energy: -1.656
local terms energy: -300.246865
where:
bonds (distance) C4'-P energy: -51.917
bonds (distance) P-C4' energy: -62.066
flat angles C4'-P-C4' energy: -61.144
flat angles P-C4'-P energy: -44.770
tors. eta vs tors. theta energy: -80.350
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: 5, replica: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -891.408968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.408968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.408968 (E_RNA)
where:
Base-Base interactions energy: -616.639
where: short stacking energy: -287.986
Base-Backbone interact. energy: -3.960
local terms energy: -270.809975
where:
bonds (distance) C4'-P energy: -36.438
bonds (distance) P-C4' energy: -53.990
flat angles C4'-P-C4' energy: -61.993
flat angles P-C4'-P energy: -40.242
tors. eta vs tors. theta energy: -78.146
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: 6, replica: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -754.939114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.939114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.939114 (E_RNA)
where:
Base-Base interactions energy: -485.068
where: short stacking energy: -216.688
Base-Backbone interact. energy: -3.208
local terms energy: -266.662489
where:
bonds (distance) C4'-P energy: -60.976
bonds (distance) P-C4' energy: -59.099
flat angles C4'-P-C4' energy: -57.248
flat angles P-C4'-P energy: -33.406
tors. eta vs tors. theta energy: -55.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -677.825906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.825906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.825906 (E_RNA)
where:
Base-Base interactions energy: -425.027
where: short stacking energy: -182.287
Base-Backbone interact. energy: -1.428
local terms energy: -251.719282
where:
bonds (distance) C4'-P energy: -55.479
bonds (distance) P-C4' energy: -58.753
flat angles C4'-P-C4' energy: -58.550
flat angles P-C4'-P energy: -38.047
tors. eta vs tors. theta energy: -40.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.348 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -567.597343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.597343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.597343 (E_RNA)
where:
Base-Base interactions energy: -340.443
where: short stacking energy: -141.576
Base-Backbone interact. energy: 0.111
local terms energy: -227.265561
where:
bonds (distance) C4'-P energy: -53.127
bonds (distance) P-C4' energy: -43.905
flat angles C4'-P-C4' energy: -58.233
flat angles P-C4'-P energy: -38.932
tors. eta vs tors. theta energy: -33.069
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: 411
Temperature: 1.300000
Total energy: -380.450136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.450136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.450136 (E_RNA)
where:
Base-Base interactions energy: -175.953
where: short stacking energy: -108.159
Base-Backbone interact. energy: -0.886
local terms energy: -203.611315
where:
bonds (distance) C4'-P energy: -43.395
bonds (distance) P-C4' energy: -67.026
flat angles C4'-P-C4' energy: -54.749
flat angles P-C4'-P energy: -29.206
tors. eta vs tors. theta energy: -9.236
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: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -330.593556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.593556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.593556 (E_RNA)
where:
Base-Base interactions energy: -157.469
where: short stacking energy: -104.884
Base-Backbone interact. energy: 0.460
local terms energy: -173.585006
where:
bonds (distance) C4'-P energy: -54.975
bonds (distance) P-C4' energy: -58.183
flat angles C4'-P-C4' energy: -43.431
flat angles P-C4'-P energy: -28.311
tors. eta vs tors. theta energy: 11.314
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: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1015.051997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.051997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.051997 (E_RNA)
where:
Base-Base interactions energy: -689.375
where: short stacking energy: -293.080
Base-Backbone interact. energy: -2.991
local terms energy: -322.686082
where:
bonds (distance) C4'-P energy: -64.255
bonds (distance) P-C4' energy: -64.063
flat angles C4'-P-C4' energy: -75.020
flat angles P-C4'-P energy: -47.567
tors. eta vs tors. theta energy: -71.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1076.008405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.008405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.008405 (E_RNA)
where:
Base-Base interactions energy: -734.731
where: short stacking energy: -320.462
Base-Backbone interact. energy: -4.195
local terms energy: -337.082336
where:
bonds (distance) C4'-P energy: -59.041
bonds (distance) P-C4' energy: -64.558
flat angles C4'-P-C4' energy: -69.829
flat angles P-C4'-P energy: -53.247
tors. eta vs tors. theta energy: -90.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -980.507095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.507095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.507095 (E_RNA)
where:
Base-Base interactions energy: -655.784
where: short stacking energy: -290.756
Base-Backbone interact. energy: 0.042
local terms energy: -324.765255
where:
bonds (distance) C4'-P energy: -64.214
bonds (distance) P-C4' energy: -68.337
flat angles C4'-P-C4' energy: -66.846
flat angles P-C4'-P energy: -44.851
tors. eta vs tors. theta energy: -80.517
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: 4, replica: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -919.250235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.250235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.250235 (E_RNA)
where:
Base-Base interactions energy: -616.862
where: short stacking energy: -285.939
Base-Backbone interact. energy: -0.847
local terms energy: -301.542037
where:
bonds (distance) C4'-P energy: -51.132
bonds (distance) P-C4' energy: -61.241
flat angles C4'-P-C4' energy: -57.194
flat angles P-C4'-P energy: -52.369
tors. eta vs tors. theta energy: -79.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -885.867201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.867201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.867201 (E_RNA)
where:
Base-Base interactions energy: -597.946
where: short stacking energy: -259.320
Base-Backbone interact. energy: 0.122
local terms energy: -288.043380
where:
bonds (distance) C4'-P energy: -62.230
bonds (distance) P-C4' energy: -56.571
flat angles C4'-P-C4' energy: -62.037
flat angles P-C4'-P energy: -36.251
tors. eta vs tors. theta energy: -70.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -821.008701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.008701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.008701 (E_RNA)
where:
Base-Base interactions energy: -553.173
where: short stacking energy: -239.685
Base-Backbone interact. energy: -1.405
local terms energy: -266.430608
where:
bonds (distance) C4'-P energy: -49.560
bonds (distance) P-C4' energy: -56.195
flat angles C4'-P-C4' energy: -59.618
flat angles P-C4'-P energy: -46.248
tors. eta vs tors. theta energy: -54.809
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: 412
Temperature: 1.200000
Total energy: -722.790261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.790261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.790261 (E_RNA)
where:
Base-Base interactions energy: -463.319
where: short stacking energy: -185.008
Base-Backbone interact. energy: -1.619
local terms energy: -257.852010
where:
bonds (distance) C4'-P energy: -58.853
bonds (distance) P-C4' energy: -66.715
flat angles C4'-P-C4' energy: -59.530
flat angles P-C4'-P energy: -31.004
tors. eta vs tors. theta energy: -41.750
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: 3
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -611.613362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.613362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.613362 (E_RNA)
where:
Base-Base interactions energy: -371.166
where: short stacking energy: -170.386
Base-Backbone interact. energy: 0.075
local terms energy: -240.523095
where:
bonds (distance) C4'-P energy: -51.231
bonds (distance) P-C4' energy: -64.473
flat angles C4'-P-C4' energy: -54.285
flat angles P-C4'-P energy: -39.418
tors. eta vs tors. theta energy: -31.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -330.281685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.281685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.281685 (E_RNA)
where:
Base-Base interactions energy: -141.914
where: short stacking energy: -90.974
Base-Backbone interact. energy: -0.532
local terms energy: -187.835843
where:
bonds (distance) C4'-P energy: -46.916
bonds (distance) P-C4' energy: -63.020
flat angles C4'-P-C4' energy: -51.037
flat angles P-C4'-P energy: -28.780
tors. eta vs tors. theta energy: 1.917
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: 10, replica: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -333.740179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.740179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.740179 (E_RNA)
where:
Base-Base interactions energy: -137.370
where: short stacking energy: -84.878
Base-Backbone interact. energy: -2.624
local terms energy: -193.746148
where:
bonds (distance) C4'-P energy: -64.908
bonds (distance) P-C4' energy: -65.632
flat angles C4'-P-C4' energy: -32.103
flat angles P-C4'-P energy: -28.319
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1037.184412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.184412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.184412 (E_RNA)
where:
Base-Base interactions energy: -697.427
where: short stacking energy: -305.855
Base-Backbone interact. energy: -0.630
local terms energy: -339.128295
where:
bonds (distance) C4'-P energy: -69.891
bonds (distance) P-C4' energy: -66.547
flat angles C4'-P-C4' energy: -74.935
flat angles P-C4'-P energy: -46.272
tors. eta vs tors. theta energy: -81.484
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: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1060.916489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.916489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.916489 (E_RNA)
where:
Base-Base interactions energy: -734.610
where: short stacking energy: -289.897
Base-Backbone interact. energy: -0.841
local terms energy: -325.465395
where:
bonds (distance) C4'-P energy: -55.210
bonds (distance) P-C4' energy: -70.366
flat angles C4'-P-C4' energy: -74.646
flat angles P-C4'-P energy: -41.072
tors. eta vs tors. theta energy: -84.172
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: 3, replica: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -992.174014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.174014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.174014 (E_RNA)
where:
Base-Base interactions energy: -658.632
where: short stacking energy: -296.528
Base-Backbone interact. energy: -1.988
local terms energy: -331.553172
where:
bonds (distance) C4'-P energy: -56.529
bonds (distance) P-C4' energy: -63.540
flat angles C4'-P-C4' energy: -68.531
flat angles P-C4'-P energy: -58.895
tors. eta vs tors. theta energy: -84.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -911.622260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.622260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.622260 (E_RNA)
where:
Base-Base interactions energy: -623.613
where: short stacking energy: -269.008
Base-Backbone interact. energy: 0.211
local terms energy: -288.220261
where:
bonds (distance) C4'-P energy: -53.958
bonds (distance) P-C4' energy: -63.865
flat angles C4'-P-C4' energy: -66.772
flat angles P-C4'-P energy: -37.130
tors. eta vs tors. theta energy: -66.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -867.785845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.785845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.785845 (E_RNA)
where:
Base-Base interactions energy: -570.423
where: short stacking energy: -249.623
Base-Backbone interact. energy: 2.053
local terms energy: -299.415225
where:
bonds (distance) C4'-P energy: -57.579
bonds (distance) P-C4' energy: -66.139
flat angles C4'-P-C4' energy: -71.602
flat angles P-C4'-P energy: -29.072
tors. eta vs tors. theta energy: -75.023
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: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -785.915058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.915058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.915058 (E_RNA)
where:
Base-Base interactions energy: -510.491
where: short stacking energy: -225.430
Base-Backbone interact. energy: -0.383
local terms energy: -275.041412
where:
bonds (distance) C4'-P energy: -55.666
bonds (distance) P-C4' energy: -65.666
flat angles C4'-P-C4' energy: -62.770
flat angles P-C4'-P energy: -35.509
tors. eta vs tors. theta energy: -55.431
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: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -789.709661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.709661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.709661 (E_RNA)
where:
Base-Base interactions energy: -532.520
where: short stacking energy: -216.338
Base-Backbone interact. energy: 0.132
local terms energy: -258.323575
where:
bonds (distance) C4'-P energy: -50.165
bonds (distance) P-C4' energy: -53.637
flat angles C4'-P-C4' energy: -56.811
flat angles P-C4'-P energy: -35.896
tors. eta vs tors. theta energy: -61.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.002 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -572.883499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.883499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.883499 (E_RNA)
where:
Base-Base interactions energy: -336.683
where: short stacking energy: -154.037
Base-Backbone interact. energy: -0.970
local terms energy: -235.230520
where:
bonds (distance) C4'-P energy: -51.724
bonds (distance) P-C4' energy: -67.188
flat angles C4'-P-C4' energy: -53.630
flat angles P-C4'-P energy: -43.613
tors. eta vs tors. theta energy: -19.076
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: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -353.338120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.338120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.338120 (E_RNA)
where:
Base-Base interactions energy: -167.380
where: short stacking energy: -119.481
Base-Backbone interact. energy: 1.652
local terms energy: -187.610596
where:
bonds (distance) C4'-P energy: -56.571
bonds (distance) P-C4' energy: -59.859
flat angles C4'-P-C4' energy: -47.313
flat angles P-C4'-P energy: -21.363
tors. eta vs tors. theta energy: -2.504
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: 1
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -345.510522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.510522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.510522 (E_RNA)
where:
Base-Base interactions energy: -151.233
where: short stacking energy: -92.043
Base-Backbone interact. energy: -1.208
local terms energy: -193.069033
where:
bonds (distance) C4'-P energy: -49.976
bonds (distance) P-C4' energy: -57.190
flat angles C4'-P-C4' energy: -51.091
flat angles P-C4'-P energy: -24.480
tors. eta vs tors. theta energy: -10.332
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: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1090.605809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.605809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.605809 (E_RNA)
where:
Base-Base interactions energy: -743.523
where: short stacking energy: -311.593
Base-Backbone interact. energy: -3.080
local terms energy: -344.002700
where:
bonds (distance) C4'-P energy: -62.168
bonds (distance) P-C4' energy: -69.162
flat angles C4'-P-C4' energy: -71.635
flat angles P-C4'-P energy: -56.784
tors. eta vs tors. theta energy: -84.255
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: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1007.190945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.190945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.190945 (E_RNA)
where:
Base-Base interactions energy: -688.926
where: short stacking energy: -284.262
Base-Backbone interact. energy: -2.569
local terms energy: -315.696532
where:
bonds (distance) C4'-P energy: -52.509
bonds (distance) P-C4' energy: -74.406
flat angles C4'-P-C4' energy: -68.505
flat angles P-C4'-P energy: -39.763
tors. eta vs tors. theta energy: -80.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -987.492615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.492615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.492615 (E_RNA)
where:
Base-Base interactions energy: -665.437
where: short stacking energy: -276.445
Base-Backbone interact. energy: -0.173
local terms energy: -321.883169
where:
bonds (distance) C4'-P energy: -62.969
bonds (distance) P-C4' energy: -64.514
flat angles C4'-P-C4' energy: -65.209
flat angles P-C4'-P energy: -50.237
tors. eta vs tors. theta energy: -78.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -888.521496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.521496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.521496 (E_RNA)
where:
Base-Base interactions energy: -591.402
where: short stacking energy: -254.331
Base-Backbone interact. energy: -1.426
local terms energy: -295.693680
where:
bonds (distance) C4'-P energy: -66.724
bonds (distance) P-C4' energy: -64.373
flat angles C4'-P-C4' energy: -59.247
flat angles P-C4'-P energy: -50.717
tors. eta vs tors. theta energy: -54.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -878.150455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.150455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.150455 (E_RNA)
where:
Base-Base interactions energy: -585.770
where: short stacking energy: -265.747
Base-Backbone interact. energy: -0.320
local terms energy: -292.060287
where:
bonds (distance) C4'-P energy: -56.308
bonds (distance) P-C4' energy: -60.841
flat angles C4'-P-C4' energy: -61.439
flat angles P-C4'-P energy: -40.369
tors. eta vs tors. theta energy: -73.104
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: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -744.390770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.390770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.390770 (E_RNA)
where:
Base-Base interactions energy: -472.138
where: short stacking energy: -208.879
Base-Backbone interact. energy: -0.162
local terms energy: -272.091595
where:
bonds (distance) C4'-P energy: -53.059
bonds (distance) P-C4' energy: -58.258
flat angles C4'-P-C4' energy: -64.664
flat angles P-C4'-P energy: -46.325
tors. eta vs tors. theta energy: -49.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -788.800838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.800838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.800838 (E_RNA)
where:
Base-Base interactions energy: -554.629
where: short stacking energy: -242.239
Base-Backbone interact. energy: -2.394
local terms energy: -231.777721
where:
bonds (distance) C4'-P energy: -40.375
bonds (distance) P-C4' energy: -52.781
flat angles C4'-P-C4' energy: -62.482
flat angles P-C4'-P energy: -23.305
tors. eta vs tors. theta energy: -52.834
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: 8, replica: 3
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -541.753072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.753072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.753072 (E_RNA)
where:
Base-Base interactions energy: -307.218
where: short stacking energy: -144.113
Base-Backbone interact. energy: -0.814
local terms energy: -233.720996
where:
bonds (distance) C4'-P energy: -56.616
bonds (distance) P-C4' energy: -62.457
flat angles C4'-P-C4' energy: -56.392
flat angles P-C4'-P energy: -38.626
tors. eta vs tors. theta energy: -19.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -363.090617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.090617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.090617 (E_RNA)
where:
Base-Base interactions energy: -165.248
where: short stacking energy: -113.772
Base-Backbone interact. energy: 2.656
local terms energy: -200.499228
where:
bonds (distance) C4'-P energy: -44.255
bonds (distance) P-C4' energy: -63.928
flat angles C4'-P-C4' energy: -47.249
flat angles P-C4'-P energy: -31.393
tors. eta vs tors. theta energy: -13.674
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: 414
Temperature: 1.350000
Total energy: -314.115677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.115677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.115677 (E_RNA)
where:
Base-Base interactions energy: -145.741
where: short stacking energy: -97.335
Base-Backbone interact. energy: -0.675
local terms energy: -167.699769
where:
bonds (distance) C4'-P energy: -48.500
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -50.380
flat angles P-C4'-P energy: -22.322
tors. eta vs tors. theta energy: -2.666
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: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1101.793471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.793471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.793471 (E_RNA)
where:
Base-Base interactions energy: -759.392
where: short stacking energy: -324.501
Base-Backbone interact. energy: -0.352
local terms energy: -342.048577
where:
bonds (distance) C4'-P energy: -62.577
bonds (distance) P-C4' energy: -57.809
flat angles C4'-P-C4' energy: -74.040
flat angles P-C4'-P energy: -56.562
tors. eta vs tors. theta energy: -91.061
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: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1018.032074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.032074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.032074 (E_RNA)
where:
Base-Base interactions energy: -686.000
where: short stacking energy: -295.301
Base-Backbone interact. energy: -1.836
local terms energy: -330.196836
where:
bonds (distance) C4'-P energy: -56.440
bonds (distance) P-C4' energy: -70.677
flat angles C4'-P-C4' energy: -73.779
flat angles P-C4'-P energy: -45.635
tors. eta vs tors. theta energy: -83.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -969.580941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.580941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.580941 (E_RNA)
where:
Base-Base interactions energy: -661.763
where: short stacking energy: -266.779
Base-Backbone interact. energy: -2.501
local terms energy: -305.317511
where:
bonds (distance) C4'-P energy: -64.224
bonds (distance) P-C4' energy: -62.050
flat angles C4'-P-C4' energy: -63.796
flat angles P-C4'-P energy: -34.345
tors. eta vs tors. theta energy: -80.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -894.570064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.570064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.570064 (E_RNA)
where:
Base-Base interactions energy: -598.625
where: short stacking energy: -257.620
Base-Backbone interact. energy: -0.564
local terms energy: -295.629228
where:
bonds (distance) C4'-P energy: -64.548
bonds (distance) P-C4' energy: -60.642
flat angles C4'-P-C4' energy: -56.426
flat angles P-C4'-P energy: -36.279
tors. eta vs tors. theta energy: -77.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.247 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -856.669541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.669541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.669541 (E_RNA)
where:
Base-Base interactions energy: -556.601
where: short stacking energy: -262.888
Base-Backbone interact. energy: -1.228
local terms energy: -298.839813
where:
bonds (distance) C4'-P energy: -59.004
bonds (distance) P-C4' energy: -57.424
flat angles C4'-P-C4' energy: -65.316
flat angles P-C4'-P energy: -39.696
tors. eta vs tors. theta energy: -77.400
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: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -791.569941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.569941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.569941 (E_RNA)
where:
Base-Base interactions energy: -534.562
where: short stacking energy: -233.318
Base-Backbone interact. energy: -1.230
local terms energy: -255.777976
where:
bonds (distance) C4'-P energy: -52.719
bonds (distance) P-C4' energy: -59.576
flat angles C4'-P-C4' energy: -58.203
flat angles P-C4'-P energy: -30.348
tors. eta vs tors. theta energy: -54.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -678.144968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.144968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.144968 (E_RNA)
where:
Base-Base interactions energy: -431.020
where: short stacking energy: -182.788
Base-Backbone interact. energy: -1.494
local terms energy: -245.630924
where:
bonds (distance) C4'-P energy: -53.837
bonds (distance) P-C4' energy: -65.177
flat angles C4'-P-C4' energy: -67.416
flat angles P-C4'-P energy: -41.357
tors. eta vs tors. theta energy: -17.844
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: 415
Temperature: 1.250000
Total energy: -552.470761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.470761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.470761 (E_RNA)
where:
Base-Base interactions energy: -293.435
where: short stacking energy: -165.128
Base-Backbone interact. energy: 0.114
local terms energy: -259.149775
where:
bonds (distance) C4'-P energy: -59.422
bonds (distance) P-C4' energy: -69.540
flat angles C4'-P-C4' energy: -70.580
flat angles P-C4'-P energy: -31.331
tors. eta vs tors. theta energy: -28.276
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: 415
Temperature: 1.300000
Total energy: -358.327337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.327337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.327337 (E_RNA)
where:
Base-Base interactions energy: -165.216
where: short stacking energy: -88.324
Base-Backbone interact. energy: 0.099
local terms energy: -193.326926
where:
bonds (distance) C4'-P energy: -51.335
bonds (distance) P-C4' energy: -64.141
flat angles C4'-P-C4' energy: -41.452
flat angles P-C4'-P energy: -37.845
tors. eta vs tors. theta energy: 1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.117 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -348.329108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.329108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.329108 (E_RNA)
where:
Base-Base interactions energy: -147.334
where: short stacking energy: -98.357
Base-Backbone interact. energy: -0.245
local terms energy: -200.750176
where:
bonds (distance) C4'-P energy: -47.198
bonds (distance) P-C4' energy: -55.288
flat angles C4'-P-C4' energy: -59.814
flat angles P-C4'-P energy: -35.193
tors. eta vs tors. theta energy: -3.257
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: 8
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1072.439666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.439666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.439666 (E_RNA)
where:
Base-Base interactions energy: -734.064
where: short stacking energy: -320.325
Base-Backbone interact. energy: -2.059
local terms energy: -336.316407
where:
bonds (distance) C4'-P energy: -64.603
bonds (distance) P-C4' energy: -61.899
flat angles C4'-P-C4' energy: -76.578
flat angles P-C4'-P energy: -41.299
tors. eta vs tors. theta energy: -91.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -991.194545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.194545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.194545 (E_RNA)
where:
Base-Base interactions energy: -677.083
where: short stacking energy: -281.996
Base-Backbone interact. energy: -2.539
local terms energy: -311.672444
where:
bonds (distance) C4'-P energy: -62.041
bonds (distance) P-C4' energy: -61.577
flat angles C4'-P-C4' energy: -72.793
flat angles P-C4'-P energy: -36.454
tors. eta vs tors. theta energy: -78.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.100 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -993.342350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.342350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.342350 (E_RNA)
where:
Base-Base interactions energy: -683.399
where: short stacking energy: -266.632
Base-Backbone interact. energy: -2.069
local terms energy: -307.874468
where:
bonds (distance) C4'-P energy: -68.890
bonds (distance) P-C4' energy: -61.297
flat angles C4'-P-C4' energy: -67.479
flat angles P-C4'-P energy: -32.480
tors. eta vs tors. theta energy: -77.728
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: 9
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -935.076850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.076850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.076850 (E_RNA)
where:
Base-Base interactions energy: -628.922
where: short stacking energy: -254.747
Base-Backbone interact. energy: -0.315
local terms energy: -305.839576
where:
bonds (distance) C4'-P energy: -56.876
bonds (distance) P-C4' energy: -70.480
flat angles C4'-P-C4' energy: -59.251
flat angles P-C4'-P energy: -46.955
tors. eta vs tors. theta energy: -72.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -851.988340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.988340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.988340 (E_RNA)
where:
Base-Base interactions energy: -563.604
where: short stacking energy: -234.297
Base-Backbone interact. energy: -1.191
local terms energy: -287.193666
where:
bonds (distance) C4'-P energy: -57.658
bonds (distance) P-C4' energy: -62.763
flat angles C4'-P-C4' energy: -57.414
flat angles P-C4'-P energy: -41.807
tors. eta vs tors. theta energy: -67.552
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: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -834.540420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.540420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.540420 (E_RNA)
where:
Base-Base interactions energy: -555.223
where: short stacking energy: -240.510
Base-Backbone interact. energy: -0.439
local terms energy: -278.878168
where:
bonds (distance) C4'-P energy: -48.904
bonds (distance) P-C4' energy: -60.635
flat angles C4'-P-C4' energy: -66.930
flat angles P-C4'-P energy: -37.315
tors. eta vs tors. theta energy: -65.094
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: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -687.773137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.773137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.773137 (E_RNA)
where:
Base-Base interactions energy: -453.277
where: short stacking energy: -192.126
Base-Backbone interact. energy: -0.185
local terms energy: -234.763214
where:
bonds (distance) C4'-P energy: -49.687
bonds (distance) P-C4' energy: -58.854
flat angles C4'-P-C4' energy: -47.549
flat angles P-C4'-P energy: -37.139
tors. eta vs tors. theta energy: -41.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.452 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -529.187277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.187277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.187277 (E_RNA)
where:
Base-Base interactions energy: -300.644
where: short stacking energy: -141.618
Base-Backbone interact. energy: -0.707
local terms energy: -227.836219
where:
bonds (distance) C4'-P energy: -45.832
bonds (distance) P-C4' energy: -58.533
flat angles C4'-P-C4' energy: -57.926
flat angles P-C4'-P energy: -34.145
tors. eta vs tors. theta energy: -31.401
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: 416
Temperature: 1.300000
Total energy: -340.161425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.161425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.161425 (E_RNA)
where:
Base-Base interactions energy: -156.576
where: short stacking energy: -112.911
Base-Backbone interact. energy: 2.038
local terms energy: -185.623388
where:
bonds (distance) C4'-P energy: -47.234
bonds (distance) P-C4' energy: -54.686
flat angles C4'-P-C4' energy: -49.316
flat angles P-C4'-P energy: -23.191
tors. eta vs tors. theta energy: -11.197
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: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -329.379680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.379680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.379680 (E_RNA)
where:
Base-Base interactions energy: -152.888
where: short stacking energy: -90.911
Base-Backbone interact. energy: -1.449
local terms energy: -175.042559
where:
bonds (distance) C4'-P energy: -58.989
bonds (distance) P-C4' energy: -57.438
flat angles C4'-P-C4' energy: -40.842
flat angles P-C4'-P energy: -17.202
tors. eta vs tors. theta energy: -0.572
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: 8
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1074.607273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.607273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.607273 (E_RNA)
where:
Base-Base interactions energy: -726.534
where: short stacking energy: -301.535
Base-Backbone interact. energy: -1.787
local terms energy: -346.286437
where:
bonds (distance) C4'-P energy: -66.779
bonds (distance) P-C4' energy: -66.871
flat angles C4'-P-C4' energy: -76.767
flat angles P-C4'-P energy: -50.803
tors. eta vs tors. theta energy: -85.066
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: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1012.583682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.583682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.583682 (E_RNA)
where:
Base-Base interactions energy: -684.348
where: short stacking energy: -293.821
Base-Backbone interact. energy: -0.773
local terms energy: -327.462371
where:
bonds (distance) C4'-P energy: -63.873
bonds (distance) P-C4' energy: -68.708
flat angles C4'-P-C4' energy: -64.452
flat angles P-C4'-P energy: -44.612
tors. eta vs tors. theta energy: -85.817
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: 417
Temperature: 1.000000
Total energy: -962.997113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.997113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.997113 (E_RNA)
where:
Base-Base interactions energy: -652.689
where: short stacking energy: -278.553
Base-Backbone interact. energy: 1.039
local terms energy: -311.347366
where:
bonds (distance) C4'-P energy: -60.151
bonds (distance) P-C4' energy: -64.340
flat angles C4'-P-C4' energy: -74.307
flat angles P-C4'-P energy: -41.762
tors. eta vs tors. theta energy: -70.787
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: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -889.428635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.428635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.428635 (E_RNA)
where:
Base-Base interactions energy: -593.427
where: short stacking energy: -255.500
Base-Backbone interact. energy: -1.512
local terms energy: -296.112930
where:
bonds (distance) C4'-P energy: -49.239
bonds (distance) P-C4' energy: -70.527
flat angles C4'-P-C4' energy: -68.886
flat angles P-C4'-P energy: -49.806
tors. eta vs tors. theta energy: -57.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.624 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -877.550591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.550591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.550591 (E_RNA)
where:
Base-Base interactions energy: -599.033
where: short stacking energy: -246.588
Base-Backbone interact. energy: -0.915
local terms energy: -278.702166
where:
bonds (distance) C4'-P energy: -54.977
bonds (distance) P-C4' energy: -69.013
flat angles C4'-P-C4' energy: -59.943
flat angles P-C4'-P energy: -29.291
tors. eta vs tors. theta energy: -65.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.100 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -771.848979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.848979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.848979 (E_RNA)
where:
Base-Base interactions energy: -499.537
where: short stacking energy: -222.892
Base-Backbone interact. energy: 1.381
local terms energy: -273.692627
where:
bonds (distance) C4'-P energy: -59.451
bonds (distance) P-C4' energy: -49.396
flat angles C4'-P-C4' energy: -63.135
flat angles P-C4'-P energy: -40.832
tors. eta vs tors. theta energy: -60.878
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: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -714.407523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.407523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.407523 (E_RNA)
where:
Base-Base interactions energy: -441.736
where: short stacking energy: -189.556
Base-Backbone interact. energy: -1.163
local terms energy: -271.508728
where:
bonds (distance) C4'-P energy: -63.727
bonds (distance) P-C4' energy: -59.362
flat angles C4'-P-C4' energy: -66.172
flat angles P-C4'-P energy: -39.409
tors. eta vs tors. theta energy: -42.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -531.257764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.257764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.257764 (E_RNA)
where:
Base-Base interactions energy: -314.486
where: short stacking energy: -145.749
Base-Backbone interact. energy: -1.653
local terms energy: -215.118347
where:
bonds (distance) C4'-P energy: -58.618
bonds (distance) P-C4' energy: -48.286
flat angles C4'-P-C4' energy: -54.257
flat angles P-C4'-P energy: -33.227
tors. eta vs tors. theta energy: -20.731
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: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -358.062649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.062649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.062649 (E_RNA)
where:
Base-Base interactions energy: -159.571
where: short stacking energy: -101.147
Base-Backbone interact. energy: -0.705
local terms energy: -197.786256
where:
bonds (distance) C4'-P energy: -61.577
bonds (distance) P-C4' energy: -57.471
flat angles C4'-P-C4' energy: -48.119
flat angles P-C4'-P energy: -34.114
tors. eta vs tors. theta energy: 3.495
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: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -323.638318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.638318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.638318 (E_RNA)
where:
Base-Base interactions energy: -165.788
where: short stacking energy: -107.855
Base-Backbone interact. energy: 1.518
local terms energy: -159.368192
where:
bonds (distance) C4'-P energy: -49.468
bonds (distance) P-C4' energy: -61.744
flat angles C4'-P-C4' energy: -36.476
flat angles P-C4'-P energy: -24.623
tors. eta vs tors. theta energy: 12.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1082.539230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.539230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.539230 (E_RNA)
where:
Base-Base interactions energy: -731.387
where: short stacking energy: -325.217
Base-Backbone interact. energy: -1.397
local terms energy: -349.755599
where:
bonds (distance) C4'-P energy: -64.986
bonds (distance) P-C4' energy: -71.118
flat angles C4'-P-C4' energy: -67.343
flat angles P-C4'-P energy: -56.367
tors. eta vs tors. theta energy: -89.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1027.052263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.052263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.052263 (E_RNA)
where:
Base-Base interactions energy: -687.417
where: short stacking energy: -296.887
Base-Backbone interact. energy: -1.387
local terms energy: -338.248060
where:
bonds (distance) C4'-P energy: -67.554
bonds (distance) P-C4' energy: -64.029
flat angles C4'-P-C4' energy: -72.467
flat angles P-C4'-P energy: -48.566
tors. eta vs tors. theta energy: -85.633
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: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -962.594870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.594870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.594870 (E_RNA)
where:
Base-Base interactions energy: -665.039
where: short stacking energy: -275.340
Base-Backbone interact. energy: -2.116
local terms energy: -295.440131
where:
bonds (distance) C4'-P energy: -65.665
bonds (distance) P-C4' energy: -71.137
flat angles C4'-P-C4' energy: -58.707
flat angles P-C4'-P energy: -28.574
tors. eta vs tors. theta energy: -71.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -931.217042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.217042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.217042 (E_RNA)
where:
Base-Base interactions energy: -622.179
where: short stacking energy: -284.400
Base-Backbone interact. energy: -1.640
local terms energy: -307.398160
where:
bonds (distance) C4'-P energy: -59.929
bonds (distance) P-C4' energy: -68.040
flat angles C4'-P-C4' energy: -66.086
flat angles P-C4'-P energy: -43.300
tors. eta vs tors. theta energy: -70.042
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: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -881.551088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.551088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.551088 (E_RNA)
where:
Base-Base interactions energy: -596.385
where: short stacking energy: -259.591
Base-Backbone interact. energy: 0.249
local terms energy: -285.919456
where:
bonds (distance) C4'-P energy: -55.466
bonds (distance) P-C4' energy: -62.685
flat angles C4'-P-C4' energy: -63.500
flat angles P-C4'-P energy: -37.723
tors. eta vs tors. theta energy: -66.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.504 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -783.623886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.623886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.623886 (E_RNA)
where:
Base-Base interactions energy: -494.162
where: short stacking energy: -238.628
Base-Backbone interact. energy: 1.826
local terms energy: -291.288275
where:
bonds (distance) C4'-P energy: -55.500
bonds (distance) P-C4' energy: -60.782
flat angles C4'-P-C4' energy: -71.677
flat angles P-C4'-P energy: -43.832
tors. eta vs tors. theta energy: -59.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -688.668677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.668677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.668677 (E_RNA)
where:
Base-Base interactions energy: -450.192
where: short stacking energy: -189.248
Base-Backbone interact. energy: 0.189
local terms energy: -239.860946
where:
bonds (distance) C4'-P energy: -47.173
bonds (distance) P-C4' energy: -66.046
flat angles C4'-P-C4' energy: -59.326
flat angles P-C4'-P energy: -30.539
tors. eta vs tors. theta energy: -36.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.194 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -484.078524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.078524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.078524 (E_RNA)
where:
Base-Base interactions energy: -292.407
where: short stacking energy: -131.481
Base-Backbone interact. energy: -0.094
local terms energy: -191.578105
where:
bonds (distance) C4'-P energy: -52.148
bonds (distance) P-C4' energy: -54.867
flat angles C4'-P-C4' energy: -53.610
flat angles P-C4'-P energy: -20.379
tors. eta vs tors. theta energy: -10.574
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: 1
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -348.578533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.578533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.578533 (E_RNA)
where:
Base-Base interactions energy: -157.728
where: short stacking energy: -94.407
Base-Backbone interact. energy: 3.133
local terms energy: -193.983403
where:
bonds (distance) C4'-P energy: -42.976
bonds (distance) P-C4' energy: -68.625
flat angles C4'-P-C4' energy: -38.103
flat angles P-C4'-P energy: -35.684
tors. eta vs tors. theta energy: -8.595
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: 418
Temperature: 1.350000
Total energy: -335.803123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.803123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.803123 (E_RNA)
where:
Base-Base interactions energy: -167.848
where: short stacking energy: -106.311
Base-Backbone interact. energy: 0.246
local terms energy: -168.201806
where:
bonds (distance) C4'-P energy: -51.461
bonds (distance) P-C4' energy: -52.173
flat angles C4'-P-C4' energy: -52.545
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: 6.664
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: 1, replica: 8
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1073.304625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.304625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.304625 (E_RNA)
where:
Base-Base interactions energy: -734.574
where: short stacking energy: -328.965
Base-Backbone interact. energy: 1.367
local terms energy: -340.097153
where:
bonds (distance) C4'-P energy: -57.750
bonds (distance) P-C4' energy: -65.961
flat angles C4'-P-C4' energy: -73.804
flat angles P-C4'-P energy: -54.602
tors. eta vs tors. theta energy: -87.980
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: 4
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1032.240950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.240950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.240950 (E_RNA)
where:
Base-Base interactions energy: -699.895
where: short stacking energy: -290.560
Base-Backbone interact. energy: -0.475
local terms energy: -332.472275
where:
bonds (distance) C4'-P energy: -60.292
bonds (distance) P-C4' energy: -58.929
flat angles C4'-P-C4' energy: -74.302
flat angles P-C4'-P energy: -48.630
tors. eta vs tors. theta energy: -90.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.601 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -993.604445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.604445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.604445 (E_RNA)
where:
Base-Base interactions energy: -690.986
where: short stacking energy: -295.791
Base-Backbone interact. energy: 1.600
local terms energy: -304.218621
where:
bonds (distance) C4'-P energy: -64.895
bonds (distance) P-C4' energy: -53.287
flat angles C4'-P-C4' energy: -67.846
flat angles P-C4'-P energy: -37.859
tors. eta vs tors. theta energy: -80.331
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: 4, replica: 9
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -899.718322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.718322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.718322 (E_RNA)
where:
Base-Base interactions energy: -598.315
where: short stacking energy: -252.159
Base-Backbone interact. energy: -0.414
local terms energy: -300.989347
where:
bonds (distance) C4'-P energy: -61.261
bonds (distance) P-C4' energy: -61.990
flat angles C4'-P-C4' energy: -69.842
flat angles P-C4'-P energy: -44.972
tors. eta vs tors. theta energy: -62.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -862.012871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.012871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.012871 (E_RNA)
where:
Base-Base interactions energy: -561.387
where: short stacking energy: -241.661
Base-Backbone interact. energy: -1.001
local terms energy: -299.624249
where:
bonds (distance) C4'-P energy: -58.680
bonds (distance) P-C4' energy: -66.428
flat angles C4'-P-C4' energy: -61.307
flat angles P-C4'-P energy: -50.336
tors. eta vs tors. theta energy: -62.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -769.923503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.923503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.923503 (E_RNA)
where:
Base-Base interactions energy: -498.490
where: short stacking energy: -236.575
Base-Backbone interact. energy: -0.717
local terms energy: -270.716064
where:
bonds (distance) C4'-P energy: -46.586
bonds (distance) P-C4' energy: -59.985
flat angles C4'-P-C4' energy: -70.860
flat angles P-C4'-P energy: -37.853
tors. eta vs tors. theta energy: -55.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -740.482683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.482683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.482683 (E_RNA)
where:
Base-Base interactions energy: -480.524
where: short stacking energy: -196.340
Base-Backbone interact. energy: 0.903
local terms energy: -260.862158
where:
bonds (distance) C4'-P energy: -52.793
bonds (distance) P-C4' energy: -55.303
flat angles C4'-P-C4' energy: -61.674
flat angles P-C4'-P energy: -38.973
tors. eta vs tors. theta energy: -52.119
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: 3
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -516.212726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.212726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.212726 (E_RNA)
where:
Base-Base interactions energy: -287.176
where: short stacking energy: -158.406
Base-Backbone interact. energy: -0.692
local terms energy: -228.345184
where:
bonds (distance) C4'-P energy: -62.288
bonds (distance) P-C4' energy: -60.442
flat angles C4'-P-C4' energy: -51.461
flat angles P-C4'-P energy: -31.108
tors. eta vs tors. theta energy: -23.046
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: 419
Temperature: 1.300000
Total energy: -375.408674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.408674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.408674 (E_RNA)
where:
Base-Base interactions energy: -185.351
where: short stacking energy: -104.632
Base-Backbone interact. energy: -1.102
local terms energy: -188.955379
where:
bonds (distance) C4'-P energy: -55.684
bonds (distance) P-C4' energy: -65.518
flat angles C4'-P-C4' energy: -42.083
flat angles P-C4'-P energy: -32.088
tors. eta vs tors. theta energy: 6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -334.688561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.688561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.688561 (E_RNA)
where:
Base-Base interactions energy: -153.425
where: short stacking energy: -79.217
Base-Backbone interact. energy: -0.736
local terms energy: -180.527321
where:
bonds (distance) C4'-P energy: -48.861
bonds (distance) P-C4' energy: -57.834
flat angles C4'-P-C4' energy: -53.064
flat angles P-C4'-P energy: -26.358
tors. eta vs tors. theta energy: 5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1098.122219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.122219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.122219 (E_RNA)
where:
Base-Base interactions energy: -756.793
where: short stacking energy: -328.353
Base-Backbone interact. energy: -1.800
local terms energy: -339.528801
where:
bonds (distance) C4'-P energy: -59.725
bonds (distance) P-C4' energy: -66.288
flat angles C4'-P-C4' energy: -69.218
flat angles P-C4'-P energy: -50.810
tors. eta vs tors. theta energy: -93.488
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: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -1033.267688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.267688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.267688 (E_RNA)
where:
Base-Base interactions energy: -695.035
where: short stacking energy: -303.654
Base-Backbone interact. energy: -0.263
local terms energy: -337.969616
where:
bonds (distance) C4'-P energy: -65.470
bonds (distance) P-C4' energy: -64.166
flat angles C4'-P-C4' energy: -66.659
flat angles P-C4'-P energy: -53.399
tors. eta vs tors. theta energy: -88.276
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: 3, replica: 2
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -977.520541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.520541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.520541 (E_RNA)
where:
Base-Base interactions energy: -671.015
where: short stacking energy: -275.921
Base-Backbone interact. energy: -0.398
local terms energy: -306.107859
where:
bonds (distance) C4'-P energy: -60.072
bonds (distance) P-C4' energy: -55.550
flat angles C4'-P-C4' energy: -68.569
flat angles P-C4'-P energy: -43.048
tors. eta vs tors. theta energy: -78.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -905.809612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.809612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.809612 (E_RNA)
where:
Base-Base interactions energy: -609.675
where: short stacking energy: -257.707
Base-Backbone interact. energy: -0.730
local terms energy: -295.403971
where:
bonds (distance) C4'-P energy: -64.475
bonds (distance) P-C4' energy: -55.134
flat angles C4'-P-C4' energy: -60.683
flat angles P-C4'-P energy: -46.657
tors. eta vs tors. theta energy: -68.456
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: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -884.873950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.873950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.873950 (E_RNA)
where:
Base-Base interactions energy: -592.041
where: short stacking energy: -251.030
Base-Backbone interact. energy: -2.940
local terms energy: -292.197170
where:
bonds (distance) C4'-P energy: -61.500
bonds (distance) P-C4' energy: -55.478
flat angles C4'-P-C4' energy: -60.395
flat angles P-C4'-P energy: -47.570
tors. eta vs tors. theta energy: -67.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.304 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -798.924327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.924327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.924327 (E_RNA)
where:
Base-Base interactions energy: -525.645
where: short stacking energy: -225.980
Base-Backbone interact. energy: -0.757
local terms energy: -272.521934
where:
bonds (distance) C4'-P energy: -60.594
bonds (distance) P-C4' energy: -64.991
flat angles C4'-P-C4' energy: -54.141
flat angles P-C4'-P energy: -32.962
tors. eta vs tors. theta energy: -59.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -740.495657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.495657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.495657 (E_RNA)
where:
Base-Base interactions energy: -504.511
where: short stacking energy: -224.302
Base-Backbone interact. energy: 0.669
local terms energy: -236.653695
where:
bonds (distance) C4'-P energy: -38.526
bonds (distance) P-C4' energy: -45.346
flat angles C4'-P-C4' energy: -61.514
flat angles P-C4'-P energy: -45.324
tors. eta vs tors. theta energy: -45.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -504.618907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.618907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.618907 (E_RNA)
where:
Base-Base interactions energy: -272.506
where: short stacking energy: -134.593
Base-Backbone interact. energy: -0.789
local terms energy: -231.323709
where:
bonds (distance) C4'-P energy: -56.193
bonds (distance) P-C4' energy: -60.156
flat angles C4'-P-C4' energy: -55.005
flat angles P-C4'-P energy: -38.196
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -387.481039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.481039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.481039 (E_RNA)
where:
Base-Base interactions energy: -177.368
where: short stacking energy: -108.808
Base-Backbone interact. energy: -1.429
local terms energy: -208.683744
where:
bonds (distance) C4'-P energy: -57.354
bonds (distance) P-C4' energy: -63.654
flat angles C4'-P-C4' energy: -49.592
flat angles P-C4'-P energy: -37.595
tors. eta vs tors. theta energy: -0.490
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: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -323.322590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.322590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.322590 (E_RNA)
where:
Base-Base interactions energy: -140.840
where: short stacking energy: -92.201
Base-Backbone interact. energy: 2.167
local terms energy: -184.649545
where:
bonds (distance) C4'-P energy: -55.649
bonds (distance) P-C4' energy: -61.732
flat angles C4'-P-C4' energy: -44.916
flat angles P-C4'-P energy: -30.680
tors. eta vs tors. theta energy: 8.328
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: 8
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1073.047352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.047352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.047352 (E_RNA)
where:
Base-Base interactions energy: -750.648
where: short stacking energy: -308.058
Base-Backbone interact. energy: -3.639
local terms energy: -318.761097
where:
bonds (distance) C4'-P energy: -53.527
bonds (distance) P-C4' energy: -66.748
flat angles C4'-P-C4' energy: -67.092
flat angles P-C4'-P energy: -51.616
tors. eta vs tors. theta energy: -79.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1026.852944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.852944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.852944 (E_RNA)
where:
Base-Base interactions energy: -684.121
where: short stacking energy: -289.238
Base-Backbone interact. energy: -4.025
local terms energy: -338.706996
where:
bonds (distance) C4'-P energy: -62.978
bonds (distance) P-C4' energy: -71.185
flat angles C4'-P-C4' energy: -72.584
flat angles P-C4'-P energy: -49.420
tors. eta vs tors. theta energy: -82.541
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: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -991.067307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.067307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.067307 (E_RNA)
where:
Base-Base interactions energy: -664.181
where: short stacking energy: -275.764
Base-Backbone interact. energy: -0.264
local terms energy: -326.621879
where:
bonds (distance) C4'-P energy: -71.693
bonds (distance) P-C4' energy: -65.775
flat angles C4'-P-C4' energy: -68.135
flat angles P-C4'-P energy: -41.086
tors. eta vs tors. theta energy: -79.933
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: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -881.814634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.814634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.814634 (E_RNA)
where:
Base-Base interactions energy: -571.418
where: short stacking energy: -248.471
Base-Backbone interact. energy: -0.490
local terms energy: -309.906381
where:
bonds (distance) C4'-P energy: -63.670
bonds (distance) P-C4' energy: -71.644
flat angles C4'-P-C4' energy: -66.462
flat angles P-C4'-P energy: -41.847
tors. eta vs tors. theta energy: -66.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -896.003482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.003482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.003482 (E_RNA)
where:
Base-Base interactions energy: -599.493
where: short stacking energy: -239.359
Base-Backbone interact. energy: -2.002
local terms energy: -295.339199
where:
bonds (distance) C4'-P energy: -64.584
bonds (distance) P-C4' energy: -56.682
flat angles C4'-P-C4' energy: -65.499
flat angles P-C4'-P energy: -34.602
tors. eta vs tors. theta energy: -73.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.831 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -817.772948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.772948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.772948 (E_RNA)
where:
Base-Base interactions energy: -550.827
where: short stacking energy: -246.679
Base-Backbone interact. energy: -1.524
local terms energy: -265.421470
where:
bonds (distance) C4'-P energy: -50.045
bonds (distance) P-C4' energy: -67.359
flat angles C4'-P-C4' energy: -56.613
flat angles P-C4'-P energy: -40.649
tors. eta vs tors. theta energy: -50.755
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: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -764.309040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.309040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.309040 (E_RNA)
where:
Base-Base interactions energy: -509.814
where: short stacking energy: -241.949
Base-Backbone interact. energy: -1.864
local terms energy: -252.630466
where:
bonds (distance) C4'-P energy: -40.194
bonds (distance) P-C4' energy: -58.032
flat angles C4'-P-C4' energy: -56.382
flat angles P-C4'-P energy: -41.778
tors. eta vs tors. theta energy: -56.245
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: 8, replica: 3
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -543.047529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.047529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.047529 (E_RNA)
where:
Base-Base interactions energy: -316.161
where: short stacking energy: -154.833
Base-Backbone interact. energy: -2.099
local terms energy: -224.787783
where:
bonds (distance) C4'-P energy: -53.420
bonds (distance) P-C4' energy: -60.821
flat angles C4'-P-C4' energy: -53.533
flat angles P-C4'-P energy: -29.761
tors. eta vs tors. theta energy: -27.252
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: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -419.169460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.169460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.169460 (E_RNA)
where:
Base-Base interactions energy: -222.506
where: short stacking energy: -109.778
Base-Backbone interact. energy: -0.807
local terms energy: -195.855848
where:
bonds (distance) C4'-P energy: -66.142
bonds (distance) P-C4' energy: -54.780
flat angles C4'-P-C4' energy: -55.097
flat angles P-C4'-P energy: -26.391
tors. eta vs tors. theta energy: 6.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -334.872597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.872597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.872597 (E_RNA)
where:
Base-Base interactions energy: -143.563
where: short stacking energy: -100.963
Base-Backbone interact. energy: -0.395
local terms energy: -190.914862
where:
bonds (distance) C4'-P energy: -59.911
bonds (distance) P-C4' energy: -59.340
flat angles C4'-P-C4' energy: -50.083
flat angles P-C4'-P energy: -26.859
tors. eta vs tors. theta energy: 5.278
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: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1048.339173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.339173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.339173 (E_RNA)
where:
Base-Base interactions energy: -716.116
where: short stacking energy: -288.299
Base-Backbone interact. energy: -2.941
local terms energy: -329.281971
where:
bonds (distance) C4'-P energy: -63.607
bonds (distance) P-C4' energy: -66.714
flat angles C4'-P-C4' energy: -66.685
flat angles P-C4'-P energy: -46.386
tors. eta vs tors. theta energy: -85.890
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: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1055.764447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.764447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.764447 (E_RNA)
where:
Base-Base interactions energy: -704.636
where: short stacking energy: -290.543
Base-Backbone interact. energy: -4.015
local terms energy: -347.113871
where:
bonds (distance) C4'-P energy: -68.777
bonds (distance) P-C4' energy: -70.621
flat angles C4'-P-C4' energy: -72.857
flat angles P-C4'-P energy: -47.821
tors. eta vs tors. theta energy: -87.039
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: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -962.222837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.222837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.222837 (E_RNA)
where:
Base-Base interactions energy: -648.344
where: short stacking energy: -272.866
Base-Backbone interact. energy: -2.549
local terms energy: -311.330493
where:
bonds (distance) C4'-P energy: -69.356
bonds (distance) P-C4' energy: -58.130
flat angles C4'-P-C4' energy: -73.857
flat angles P-C4'-P energy: -35.467
tors. eta vs tors. theta energy: -74.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -924.097765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.097765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.097765 (E_RNA)
where:
Base-Base interactions energy: -618.258
where: short stacking energy: -267.889
Base-Backbone interact. energy: -0.943
local terms energy: -304.897196
where:
bonds (distance) C4'-P energy: -62.671
bonds (distance) P-C4' energy: -57.950
flat angles C4'-P-C4' energy: -62.414
flat angles P-C4'-P energy: -42.096
tors. eta vs tors. theta energy: -79.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -887.479873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.479873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.479873 (E_RNA)
where:
Base-Base interactions energy: -579.061
where: short stacking energy: -264.299
Base-Backbone interact. energy: -1.363
local terms energy: -307.056243
where:
bonds (distance) C4'-P energy: -51.939
bonds (distance) P-C4' energy: -65.957
flat angles C4'-P-C4' energy: -68.764
flat angles P-C4'-P energy: -38.858
tors. eta vs tors. theta energy: -81.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -844.691239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.691239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.691239 (E_RNA)
where:
Base-Base interactions energy: -579.750
where: short stacking energy: -239.191
Base-Backbone interact. energy: 0.383
local terms energy: -266.298354
where:
bonds (distance) C4'-P energy: -45.901
bonds (distance) P-C4' energy: -53.109
flat angles C4'-P-C4' energy: -60.918
flat angles P-C4'-P energy: -38.173
tors. eta vs tors. theta energy: -68.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.974 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -767.491694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.491694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.491694 (E_RNA)
where:
Base-Base interactions energy: -501.163
where: short stacking energy: -225.632
Base-Backbone interact. energy: 1.943
local terms energy: -268.271376
where:
bonds (distance) C4'-P energy: -56.246
bonds (distance) P-C4' energy: -52.854
flat angles C4'-P-C4' energy: -61.147
flat angles P-C4'-P energy: -36.532
tors. eta vs tors. theta energy: -61.492
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: 8, replica: 3
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -558.697345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.697345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.697345 (E_RNA)
where:
Base-Base interactions energy: -335.449
where: short stacking energy: -148.590
Base-Backbone interact. energy: 5.008
local terms energy: -228.256577
where:
bonds (distance) C4'-P energy: -59.719
bonds (distance) P-C4' energy: -55.548
flat angles C4'-P-C4' energy: -56.503
flat angles P-C4'-P energy: -37.270
tors. eta vs tors. theta energy: -19.216
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: 9, replica: 1
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -358.563986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.563986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.563986 (E_RNA)
where:
Base-Base interactions energy: -155.785
where: short stacking energy: -94.356
Base-Backbone interact. energy: 4.230
local terms energy: -207.008877
where:
bonds (distance) C4'-P energy: -49.838
bonds (distance) P-C4' energy: -62.453
flat angles C4'-P-C4' energy: -57.062
flat angles P-C4'-P energy: -44.899
tors. eta vs tors. theta energy: 7.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -359.854285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.854285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.854285 (E_RNA)
where:
Base-Base interactions energy: -197.032
where: short stacking energy: -97.995
Base-Backbone interact. energy: -0.224
local terms energy: -162.598023
where:
bonds (distance) C4'-P energy: -51.229
bonds (distance) P-C4' energy: -59.271
flat angles C4'-P-C4' energy: -42.201
flat angles P-C4'-P energy: -16.569
tors. eta vs tors. theta energy: 6.672
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: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1082.369018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.369018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.369018 (E_RNA)
where:
Base-Base interactions energy: -732.523
where: short stacking energy: -312.178
Base-Backbone interact. energy: -0.780
local terms energy: -349.066815
where:
bonds (distance) C4'-P energy: -63.251
bonds (distance) P-C4' energy: -68.136
flat angles C4'-P-C4' energy: -74.601
flat angles P-C4'-P energy: -46.746
tors. eta vs tors. theta energy: -96.333
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: 423
Temperature: 0.950000
Total energy: -1068.620421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.620421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.620421 (E_RNA)
where:
Base-Base interactions energy: -729.399
where: short stacking energy: -299.841
Base-Backbone interact. energy: -4.864
local terms energy: -334.356751
where:
bonds (distance) C4'-P energy: -65.809
bonds (distance) P-C4' energy: -66.725
flat angles C4'-P-C4' energy: -67.700
flat angles P-C4'-P energy: -51.169
tors. eta vs tors. theta energy: -82.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -952.918986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.918986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.918986 (E_RNA)
where:
Base-Base interactions energy: -650.875
where: short stacking energy: -274.316
Base-Backbone interact. energy: -2.361
local terms energy: -299.683379
where:
bonds (distance) C4'-P energy: -58.977
bonds (distance) P-C4' energy: -64.176
flat angles C4'-P-C4' energy: -65.007
flat angles P-C4'-P energy: -47.383
tors. eta vs tors. theta energy: -64.141
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: 4, replica: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -908.064481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.064481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.064481 (E_RNA)
where:
Base-Base interactions energy: -606.208
where: short stacking energy: -268.451
Base-Backbone interact. energy: -0.831
local terms energy: -301.025554
where:
bonds (distance) C4'-P energy: -61.189
bonds (distance) P-C4' energy: -57.147
flat angles C4'-P-C4' energy: -70.827
flat angles P-C4'-P energy: -50.299
tors. eta vs tors. theta energy: -61.564
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: 10
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -866.652466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.652466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.652466 (E_RNA)
where:
Base-Base interactions energy: -591.696
where: short stacking energy: -260.441
Base-Backbone interact. energy: -0.136
local terms energy: -274.820467
where:
bonds (distance) C4'-P energy: -37.769
bonds (distance) P-C4' energy: -59.634
flat angles C4'-P-C4' energy: -64.281
flat angles P-C4'-P energy: -41.515
tors. eta vs tors. theta energy: -71.622
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: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -823.714787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.714787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.714787 (E_RNA)
where:
Base-Base interactions energy: -559.081
where: short stacking energy: -237.137
Base-Backbone interact. energy: -0.692
local terms energy: -263.941786
where:
bonds (distance) C4'-P energy: -47.199
bonds (distance) P-C4' energy: -59.427
flat angles C4'-P-C4' energy: -54.586
flat angles P-C4'-P energy: -47.142
tors. eta vs tors. theta energy: -55.588
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: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -739.639792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.639792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.639792 (E_RNA)
where:
Base-Base interactions energy: -471.400
where: short stacking energy: -187.739
Base-Backbone interact. energy: -1.459
local terms energy: -266.781109
where:
bonds (distance) C4'-P energy: -55.115
bonds (distance) P-C4' energy: -62.827
flat angles C4'-P-C4' energy: -57.203
flat angles P-C4'-P energy: -41.694
tors. eta vs tors. theta energy: -49.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -538.627916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.627916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.627916 (E_RNA)
where:
Base-Base interactions energy: -323.059
where: short stacking energy: -145.462
Base-Backbone interact. energy: 0.114
local terms energy: -215.683055
where:
bonds (distance) C4'-P energy: -59.366
bonds (distance) P-C4' energy: -58.675
flat angles C4'-P-C4' energy: -46.061
flat angles P-C4'-P energy: -32.897
tors. eta vs tors. theta energy: -18.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -349.213613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.213613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.213613 (E_RNA)
where:
Base-Base interactions energy: -168.544
where: short stacking energy: -93.340
Base-Backbone interact. energy: -0.359
local terms energy: -180.310920
where:
bonds (distance) C4'-P energy: -61.062
bonds (distance) P-C4' energy: -53.035
flat angles C4'-P-C4' energy: -49.280
flat angles P-C4'-P energy: -22.417
tors. eta vs tors. theta energy: 5.483
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: 423
Temperature: 1.350000
Total energy: -396.632341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.632341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.632341 (E_RNA)
where:
Base-Base interactions energy: -192.333
where: short stacking energy: -103.936
Base-Backbone interact. energy: 1.063
local terms energy: -205.362191
where:
bonds (distance) C4'-P energy: -56.881
bonds (distance) P-C4' energy: -58.030
flat angles C4'-P-C4' energy: -47.038
flat angles P-C4'-P energy: -40.864
tors. eta vs tors. theta energy: -2.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1092.299597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.299597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.299597 (E_RNA)
where:
Base-Base interactions energy: -747.804
where: short stacking energy: -306.142
Base-Backbone interact. energy: -3.037
local terms energy: -341.458374
where:
bonds (distance) C4'-P energy: -68.491
bonds (distance) P-C4' energy: -70.948
flat angles C4'-P-C4' energy: -69.069
flat angles P-C4'-P energy: -46.882
tors. eta vs tors. theta energy: -86.069
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: 2, replica: 4
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1055.705822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.705822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.705822 (E_RNA)
where:
Base-Base interactions energy: -714.425
where: short stacking energy: -300.417
Base-Backbone interact. energy: -3.432
local terms energy: -337.848886
where:
bonds (distance) C4'-P energy: -60.280
bonds (distance) P-C4' energy: -61.542
flat angles C4'-P-C4' energy: -66.534
flat angles P-C4'-P energy: -55.263
tors. eta vs tors. theta energy: -94.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -995.368876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.368876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.368876 (E_RNA)
where:
Base-Base interactions energy: -680.551
where: short stacking energy: -270.716
Base-Backbone interact. energy: -2.564
local terms energy: -312.253146
where:
bonds (distance) C4'-P energy: -59.935
bonds (distance) P-C4' energy: -69.757
flat angles C4'-P-C4' energy: -71.035
flat angles P-C4'-P energy: -41.980
tors. eta vs tors. theta energy: -69.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -897.425784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.425784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.425784 (E_RNA)
where:
Base-Base interactions energy: -594.707
where: short stacking energy: -255.942
Base-Backbone interact. energy: 0.967
local terms energy: -303.685357
where:
bonds (distance) C4'-P energy: -65.145
bonds (distance) P-C4' energy: -67.128
flat angles C4'-P-C4' energy: -63.938
flat angles P-C4'-P energy: -43.501
tors. eta vs tors. theta energy: -63.974
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: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -841.487880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.487880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.487880 (E_RNA)
where:
Base-Base interactions energy: -568.211
where: short stacking energy: -247.499
Base-Backbone interact. energy: -0.285
local terms energy: -274.287919
where:
bonds (distance) C4'-P energy: -54.632
bonds (distance) P-C4' energy: -64.941
flat angles C4'-P-C4' energy: -60.164
flat angles P-C4'-P energy: -39.370
tors. eta vs tors. theta energy: -55.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.295 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -816.364562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.364562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.364562 (E_RNA)
where:
Base-Base interactions energy: -529.882
where: short stacking energy: -238.606
Base-Backbone interact. energy: -0.731
local terms energy: -285.751189
where:
bonds (distance) C4'-P energy: -57.001
bonds (distance) P-C4' energy: -55.101
flat angles C4'-P-C4' energy: -58.798
flat angles P-C4'-P energy: -41.850
tors. eta vs tors. theta energy: -73.001
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: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -727.252345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.252345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.252345 (E_RNA)
where:
Base-Base interactions energy: -465.761
where: short stacking energy: -230.521
Base-Backbone interact. energy: -0.592
local terms energy: -261.249599
where:
bonds (distance) C4'-P energy: -44.789
bonds (distance) P-C4' energy: -52.553
flat angles C4'-P-C4' energy: -71.896
flat angles P-C4'-P energy: -30.703
tors. eta vs tors. theta energy: -61.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.350 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -522.841326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.841326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.841326 (E_RNA)
where:
Base-Base interactions energy: -313.450
where: short stacking energy: -154.682
Base-Backbone interact. energy: 4.604
local terms energy: -213.995568
where:
bonds (distance) C4'-P energy: -59.285
bonds (distance) P-C4' energy: -58.211
flat angles C4'-P-C4' energy: -49.312
flat angles P-C4'-P energy: -38.445
tors. eta vs tors. theta energy: -8.744
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: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -379.840480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.840480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.840480 (E_RNA)
where:
Base-Base interactions energy: -186.085
where: short stacking energy: -111.939
Base-Backbone interact. energy: -1.093
local terms energy: -192.662143
where:
bonds (distance) C4'-P energy: -49.342
bonds (distance) P-C4' energy: -47.128
flat angles C4'-P-C4' energy: -48.982
flat angles P-C4'-P energy: -40.491
tors. eta vs tors. theta energy: -6.719
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: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -319.576257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.576257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.576257 (E_RNA)
where:
Base-Base interactions energy: -163.961
where: short stacking energy: -85.483
Base-Backbone interact. energy: 2.008
local terms energy: -157.623260
where:
bonds (distance) C4'-P energy: -57.423
bonds (distance) P-C4' energy: -54.292
flat angles C4'-P-C4' energy: -46.617
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: 12.145
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: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1089.723969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.723969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.723969 (E_RNA)
where:
Base-Base interactions energy: -745.360
where: short stacking energy: -281.718
Base-Backbone interact. energy: 1.003
local terms energy: -345.366859
where:
bonds (distance) C4'-P energy: -60.633
bonds (distance) P-C4' energy: -72.433
flat angles C4'-P-C4' energy: -70.777
flat angles P-C4'-P energy: -57.511
tors. eta vs tors. theta energy: -84.013
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: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1022.234196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.234196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.234196 (E_RNA)
where:
Base-Base interactions energy: -692.153
where: short stacking energy: -303.605
Base-Backbone interact. energy: 0.447
local terms energy: -330.527326
where:
bonds (distance) C4'-P energy: -48.691
bonds (distance) P-C4' energy: -68.750
flat angles C4'-P-C4' energy: -72.120
flat angles P-C4'-P energy: -52.878
tors. eta vs tors. theta energy: -88.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -988.025798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.025798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.025798 (E_RNA)
where:
Base-Base interactions energy: -676.451
where: short stacking energy: -288.604
Base-Backbone interact. energy: 0.292
local terms energy: -311.865970
where:
bonds (distance) C4'-P energy: -61.554
bonds (distance) P-C4' energy: -62.323
flat angles C4'-P-C4' energy: -66.995
flat angles P-C4'-P energy: -41.744
tors. eta vs tors. theta energy: -79.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -911.341788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.341788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.341788 (E_RNA)
where:
Base-Base interactions energy: -626.240
where: short stacking energy: -266.278
Base-Backbone interact. energy: -1.541
local terms energy: -283.560766
where:
bonds (distance) C4'-P energy: -53.929
bonds (distance) P-C4' energy: -58.225
flat angles C4'-P-C4' energy: -66.731
flat angles P-C4'-P energy: -46.987
tors. eta vs tors. theta energy: -57.689
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: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -848.048845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.048845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.048845 (E_RNA)
where:
Base-Base interactions energy: -563.264
where: short stacking energy: -232.185
Base-Backbone interact. energy: -1.455
local terms energy: -283.330137
where:
bonds (distance) C4'-P energy: -58.412
bonds (distance) P-C4' energy: -54.929
flat angles C4'-P-C4' energy: -70.727
flat angles P-C4'-P energy: -44.813
tors. eta vs tors. theta energy: -54.449
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: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -794.126940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.126940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.126940 (E_RNA)
where:
Base-Base interactions energy: -517.098
where: short stacking energy: -226.641
Base-Backbone interact. energy: -0.324
local terms energy: -276.705056
where:
bonds (distance) C4'-P energy: -58.915
bonds (distance) P-C4' energy: -64.883
flat angles C4'-P-C4' energy: -53.258
flat angles P-C4'-P energy: -40.631
tors. eta vs tors. theta energy: -59.017
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: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -705.359945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.359945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.359945 (E_RNA)
where:
Base-Base interactions energy: -461.839
where: short stacking energy: -215.153
Base-Backbone interact. energy: 0.082
local terms energy: -243.602347
where:
bonds (distance) C4'-P energy: -43.801
bonds (distance) P-C4' energy: -51.203
flat angles C4'-P-C4' energy: -70.298
flat angles P-C4'-P energy: -38.377
tors. eta vs tors. theta energy: -39.924
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: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -497.211046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.211046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.211046 (E_RNA)
where:
Base-Base interactions energy: -296.731
where: short stacking energy: -134.529
Base-Backbone interact. energy: 0.174
local terms energy: -200.654003
where:
bonds (distance) C4'-P energy: -59.228
bonds (distance) P-C4' energy: -55.569
flat angles C4'-P-C4' energy: -43.833
flat angles P-C4'-P energy: -30.816
tors. eta vs tors. theta energy: -11.209
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: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -374.633586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.633586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.633586 (E_RNA)
where:
Base-Base interactions energy: -185.891
where: short stacking energy: -116.636
Base-Backbone interact. energy: 0.637
local terms energy: -189.379326
where:
bonds (distance) C4'-P energy: -52.117
bonds (distance) P-C4' energy: -46.212
flat angles C4'-P-C4' energy: -51.178
flat angles P-C4'-P energy: -31.130
tors. eta vs tors. theta energy: -8.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -315.529860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.529860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.529860 (E_RNA)
where:
Base-Base interactions energy: -134.489
where: short stacking energy: -82.358
Base-Backbone interact. energy: -1.221
local terms energy: -179.819765
where:
bonds (distance) C4'-P energy: -44.625
bonds (distance) P-C4' energy: -49.902
flat angles C4'-P-C4' energy: -56.992
flat angles P-C4'-P energy: -29.227
tors. eta vs tors. theta energy: 0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1079.648212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.648212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.648212 (E_RNA)
where:
Base-Base interactions energy: -763.358
where: short stacking energy: -310.675
Base-Backbone interact. energy: 0.783
local terms energy: -317.072559
where:
bonds (distance) C4'-P energy: -65.523
bonds (distance) P-C4' energy: -59.583
flat angles C4'-P-C4' energy: -64.473
flat angles P-C4'-P energy: -45.450
tors. eta vs tors. theta energy: -82.044
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: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1034.640499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.640499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.640499 (E_RNA)
where:
Base-Base interactions energy: -705.597
where: short stacking energy: -300.966
Base-Backbone interact. energy: -3.890
local terms energy: -325.153090
where:
bonds (distance) C4'-P energy: -59.035
bonds (distance) P-C4' energy: -66.803
flat angles C4'-P-C4' energy: -73.761
flat angles P-C4'-P energy: -45.563
tors. eta vs tors. theta energy: -79.990
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: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1014.057862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.057862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.057862 (E_RNA)
where:
Base-Base interactions energy: -684.748
where: short stacking energy: -289.502
Base-Backbone interact. energy: -2.060
local terms energy: -327.250305
where:
bonds (distance) C4'-P energy: -63.224
bonds (distance) P-C4' energy: -54.334
flat angles C4'-P-C4' energy: -74.927
flat angles P-C4'-P energy: -49.390
tors. eta vs tors. theta energy: -85.374
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: 426
Temperature: 1.050000
Total energy: -937.145703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.145703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.145703 (E_RNA)
where:
Base-Base interactions energy: -635.609
where: short stacking energy: -279.067
Base-Backbone interact. energy: -1.229
local terms energy: -300.307320
where:
bonds (distance) C4'-P energy: -58.324
bonds (distance) P-C4' energy: -66.741
flat angles C4'-P-C4' energy: -58.605
flat angles P-C4'-P energy: -34.816
tors. eta vs tors. theta energy: -81.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -864.560750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.560750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.560750 (E_RNA)
where:
Base-Base interactions energy: -595.784
where: short stacking energy: -261.982
Base-Backbone interact. energy: -0.506
local terms energy: -268.271129
where:
bonds (distance) C4'-P energy: -49.072
bonds (distance) P-C4' energy: -64.859
flat angles C4'-P-C4' energy: -54.446
flat angles P-C4'-P energy: -31.415
tors. eta vs tors. theta energy: -68.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -778.831422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.831422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.831422 (E_RNA)
where:
Base-Base interactions energy: -522.684
where: short stacking energy: -227.124
Base-Backbone interact. energy: -1.466
local terms energy: -254.680922
where:
bonds (distance) C4'-P energy: -64.088
bonds (distance) P-C4' energy: -54.002
flat angles C4'-P-C4' energy: -52.162
flat angles P-C4'-P energy: -38.615
tors. eta vs tors. theta energy: -45.814
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: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -739.340189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.340189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.340189 (E_RNA)
where:
Base-Base interactions energy: -488.998
where: short stacking energy: -205.159
Base-Backbone interact. energy: -1.279
local terms energy: -249.063437
where:
bonds (distance) C4'-P energy: -59.009
bonds (distance) P-C4' energy: -45.282
flat angles C4'-P-C4' energy: -55.311
flat angles P-C4'-P energy: -40.756
tors. eta vs tors. theta energy: -48.706
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: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -478.517618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.517618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.517618 (E_RNA)
where:
Base-Base interactions energy: -248.610
where: short stacking energy: -136.189
Base-Backbone interact. energy: 3.634
local terms energy: -233.541373
where:
bonds (distance) C4'-P energy: -61.030
bonds (distance) P-C4' energy: -55.585
flat angles C4'-P-C4' energy: -56.648
flat angles P-C4'-P energy: -37.214
tors. eta vs tors. theta energy: -23.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -383.024512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.024512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.024512 (E_RNA)
where:
Base-Base interactions energy: -181.832
where: short stacking energy: -102.793
Base-Backbone interact. energy: -3.340
local terms energy: -197.852433
where:
bonds (distance) C4'-P energy: -52.264
bonds (distance) P-C4' energy: -58.530
flat angles C4'-P-C4' energy: -53.809
flat angles P-C4'-P energy: -36.799
tors. eta vs tors. theta energy: 3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -329.695842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.695842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.695842 (E_RNA)
where:
Base-Base interactions energy: -150.505
where: short stacking energy: -96.081
Base-Backbone interact. energy: -1.355
local terms energy: -177.835365
where:
bonds (distance) C4'-P energy: -51.928
bonds (distance) P-C4' energy: -55.535
flat angles C4'-P-C4' energy: -49.316
flat angles P-C4'-P energy: -24.257
tors. eta vs tors. theta energy: 3.199
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: 427
Temperature: 0.900000
Total energy: -1083.500646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.500646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.500646 (E_RNA)
where:
Base-Base interactions energy: -757.384
where: short stacking energy: -294.215
Base-Backbone interact. energy: -3.916
local terms energy: -322.200078
where:
bonds (distance) C4'-P energy: -61.575
bonds (distance) P-C4' energy: -64.531
flat angles C4'-P-C4' energy: -71.184
flat angles P-C4'-P energy: -44.110
tors. eta vs tors. theta energy: -80.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -1039.927170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.927170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.927170 (E_RNA)
where:
Base-Base interactions energy: -709.313
where: short stacking energy: -323.612
Base-Backbone interact. energy: -2.321
local terms energy: -328.292545
where:
bonds (distance) C4'-P energy: -65.262
bonds (distance) P-C4' energy: -62.410
flat angles C4'-P-C4' energy: -64.985
flat angles P-C4'-P energy: -43.036
tors. eta vs tors. theta energy: -92.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1017.988351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.988351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.988351 (E_RNA)
where:
Base-Base interactions energy: -681.683
where: short stacking energy: -296.099
Base-Backbone interact. energy: 0.612
local terms energy: -336.916903
where:
bonds (distance) C4'-P energy: -59.668
bonds (distance) P-C4' energy: -64.726
flat angles C4'-P-C4' energy: -74.787
flat angles P-C4'-P energy: -54.355
tors. eta vs tors. theta energy: -83.381
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: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -935.454518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.454518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.454518 (E_RNA)
where:
Base-Base interactions energy: -613.647
where: short stacking energy: -287.958
Base-Backbone interact. energy: -0.666
local terms energy: -321.141737
where:
bonds (distance) C4'-P energy: -57.280
bonds (distance) P-C4' energy: -62.364
flat angles C4'-P-C4' energy: -68.578
flat angles P-C4'-P energy: -49.291
tors. eta vs tors. theta energy: -83.628
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: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -844.947857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.947857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.947857 (E_RNA)
where:
Base-Base interactions energy: -573.586
where: short stacking energy: -272.362
Base-Backbone interact. energy: -1.060
local terms energy: -270.301840
where:
bonds (distance) C4'-P energy: -63.978
bonds (distance) P-C4' energy: -45.667
flat angles C4'-P-C4' energy: -66.714
flat angles P-C4'-P energy: -24.254
tors. eta vs tors. theta energy: -69.689
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: 6
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -835.997016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.997016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.997016 (E_RNA)
where:
Base-Base interactions energy: -568.360
where: short stacking energy: -247.815
Base-Backbone interact. energy: -1.703
local terms energy: -265.934366
where:
bonds (distance) C4'-P energy: -43.572
bonds (distance) P-C4' energy: -55.432
flat angles C4'-P-C4' energy: -55.344
flat angles P-C4'-P energy: -48.298
tors. eta vs tors. theta energy: -63.289
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: 7, replica: 5
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -728.326824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.326824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.326824 (E_RNA)
where:
Base-Base interactions energy: -478.245
where: short stacking energy: -192.737
Base-Backbone interact. energy: -2.573
local terms energy: -247.508642
where:
bonds (distance) C4'-P energy: -46.100
bonds (distance) P-C4' energy: -55.058
flat angles C4'-P-C4' energy: -69.926
flat angles P-C4'-P energy: -38.955
tors. eta vs tors. theta energy: -37.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -474.457921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.457921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.457921 (E_RNA)
where:
Base-Base interactions energy: -267.360
where: short stacking energy: -139.862
Base-Backbone interact. energy: -0.276
local terms energy: -206.821875
where:
bonds (distance) C4'-P energy: -52.824
bonds (distance) P-C4' energy: -56.224
flat angles C4'-P-C4' energy: -49.441
flat angles P-C4'-P energy: -35.309
tors. eta vs tors. theta energy: -13.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -385.255716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.255716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.255716 (E_RNA)
where:
Base-Base interactions energy: -189.908
where: short stacking energy: -94.405
Base-Backbone interact. energy: -0.215
local terms energy: -195.132694
where:
bonds (distance) C4'-P energy: -62.410
bonds (distance) P-C4' energy: -50.238
flat angles C4'-P-C4' energy: -49.793
flat angles P-C4'-P energy: -29.765
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -324.140039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.140039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.140039 (E_RNA)
where:
Base-Base interactions energy: -155.281
where: short stacking energy: -79.490
Base-Backbone interact. energy: 3.435
local terms energy: -172.546207
where:
bonds (distance) C4'-P energy: -46.835
bonds (distance) P-C4' energy: -63.834
flat angles C4'-P-C4' energy: -43.345
flat angles P-C4'-P energy: -24.288
tors. eta vs tors. theta energy: 5.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.252 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1085.692937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.692937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.692937 (E_RNA)
where:
Base-Base interactions energy: -743.199
where: short stacking energy: -313.838
Base-Backbone interact. energy: -3.545
local terms energy: -338.949069
where:
bonds (distance) C4'-P energy: -61.683
bonds (distance) P-C4' energy: -66.913
flat angles C4'-P-C4' energy: -73.866
flat angles P-C4'-P energy: -53.717
tors. eta vs tors. theta energy: -82.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1045.544124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.544124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.544124 (E_RNA)
where:
Base-Base interactions energy: -704.119
where: short stacking energy: -304.044
Base-Backbone interact. energy: -4.260
local terms energy: -337.164689
where:
bonds (distance) C4'-P energy: -49.365
bonds (distance) P-C4' energy: -63.803
flat angles C4'-P-C4' energy: -79.948
flat angles P-C4'-P energy: -51.090
tors. eta vs tors. theta energy: -92.958
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: 3, replica: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -975.135752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.135752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.135752 (E_RNA)
where:
Base-Base interactions energy: -666.945
where: short stacking energy: -293.028
Base-Backbone interact. energy: -1.358
local terms energy: -306.832330
where:
bonds (distance) C4'-P energy: -57.154
bonds (distance) P-C4' energy: -70.783
flat angles C4'-P-C4' energy: -58.883
flat angles P-C4'-P energy: -39.249
tors. eta vs tors. theta energy: -80.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -938.637403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.637403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.637403 (E_RNA)
where:
Base-Base interactions energy: -656.206
where: short stacking energy: -285.293
Base-Backbone interact. energy: -1.087
local terms energy: -281.344271
where:
bonds (distance) C4'-P energy: -56.253
bonds (distance) P-C4' energy: -59.718
flat angles C4'-P-C4' energy: -65.166
flat angles P-C4'-P energy: -33.330
tors. eta vs tors. theta energy: -66.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -874.769416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.769416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.769416 (E_RNA)
where:
Base-Base interactions energy: -588.647
where: short stacking energy: -250.881
Base-Backbone interact. energy: 0.373
local terms energy: -286.495250
where:
bonds (distance) C4'-P energy: -66.604
bonds (distance) P-C4' energy: -55.128
flat angles C4'-P-C4' energy: -72.884
flat angles P-C4'-P energy: -32.383
tors. eta vs tors. theta energy: -59.495
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: 6, replica: 6
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -833.275726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.275726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.275726 (E_RNA)
where:
Base-Base interactions energy: -563.679
where: short stacking energy: -250.501
Base-Backbone interact. energy: -0.608
local terms energy: -272.068081
where:
bonds (distance) C4'-P energy: -62.114
bonds (distance) P-C4' energy: -50.794
flat angles C4'-P-C4' energy: -60.592
flat angles P-C4'-P energy: -39.728
tors. eta vs tors. theta energy: -58.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 3.080 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -683.258586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.258586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.258586 (E_RNA)
where:
Base-Base interactions energy: -451.309
where: short stacking energy: -193.790
Base-Backbone interact. energy: -1.251
local terms energy: -232.010358
where:
bonds (distance) C4'-P energy: -50.875
bonds (distance) P-C4' energy: -57.848
flat angles C4'-P-C4' energy: -58.607
flat angles P-C4'-P energy: -31.101
tors. eta vs tors. theta energy: -33.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.311 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -476.515421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.515421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.515421 (E_RNA)
where:
Base-Base interactions energy: -268.658
where: short stacking energy: -141.567
Base-Backbone interact. energy: 1.299
local terms energy: -209.156430
where:
bonds (distance) C4'-P energy: -47.340
bonds (distance) P-C4' energy: -57.658
flat angles C4'-P-C4' energy: -47.420
flat angles P-C4'-P energy: -34.111
tors. eta vs tors. theta energy: -22.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -362.147379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.147379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.147379 (E_RNA)
where:
Base-Base interactions energy: -156.172
where: short stacking energy: -93.200
Base-Backbone interact. energy: 0.204
local terms energy: -206.179300
where:
bonds (distance) C4'-P energy: -56.213
bonds (distance) P-C4' energy: -60.937
flat angles C4'-P-C4' energy: -51.645
flat angles P-C4'-P energy: -29.601
tors. eta vs tors. theta energy: -7.784
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: 10, replica: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -336.117171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.117171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.117171 (E_RNA)
where:
Base-Base interactions energy: -146.582
where: short stacking energy: -93.937
Base-Backbone interact. energy: 0.177
local terms energy: -189.711677
where:
bonds (distance) C4'-P energy: -52.494
bonds (distance) P-C4' energy: -61.625
flat angles C4'-P-C4' energy: -58.453
flat angles P-C4'-P energy: -23.942
tors. eta vs tors. theta energy: 6.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1096.972666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.972666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.972666 (E_RNA)
where:
Base-Base interactions energy: -772.765
where: short stacking energy: -329.273
Base-Backbone interact. energy: -1.605
local terms energy: -322.602395
where:
bonds (distance) C4'-P energy: -55.563
bonds (distance) P-C4' energy: -64.525
flat angles C4'-P-C4' energy: -68.298
flat angles P-C4'-P energy: -46.069
tors. eta vs tors. theta energy: -88.147
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: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1026.532556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.532556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.532556 (E_RNA)
where:
Base-Base interactions energy: -701.145
where: short stacking energy: -303.600
Base-Backbone interact. energy: -1.533
local terms energy: -323.854728
where:
bonds (distance) C4'-P energy: -52.643
bonds (distance) P-C4' energy: -61.518
flat angles C4'-P-C4' energy: -74.073
flat angles P-C4'-P energy: -49.125
tors. eta vs tors. theta energy: -86.497
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: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -971.892521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.892521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.892521 (E_RNA)
where:
Base-Base interactions energy: -667.009
where: short stacking energy: -292.909
Base-Backbone interact. energy: -1.858
local terms energy: -303.025264
where:
bonds (distance) C4'-P energy: -55.535
bonds (distance) P-C4' energy: -60.821
flat angles C4'-P-C4' energy: -68.873
flat angles P-C4'-P energy: -43.181
tors. eta vs tors. theta energy: -74.616
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: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -912.480567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.480567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.480567 (E_RNA)
where:
Base-Base interactions energy: -610.279
where: short stacking energy: -275.911
Base-Backbone interact. energy: -1.110
local terms energy: -301.684405
where:
bonds (distance) C4'-P energy: -55.812
bonds (distance) P-C4' energy: -64.392
flat angles C4'-P-C4' energy: -56.657
flat angles P-C4'-P energy: -48.366
tors. eta vs tors. theta energy: -76.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.593 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -857.100180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.100180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.100180 (E_RNA)
where:
Base-Base interactions energy: -573.678
where: short stacking energy: -249.803
Base-Backbone interact. energy: 1.589
local terms energy: -285.011570
where:
bonds (distance) C4'-P energy: -47.953
bonds (distance) P-C4' energy: -64.850
flat angles C4'-P-C4' energy: -63.752
flat angles P-C4'-P energy: -34.014
tors. eta vs tors. theta energy: -74.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -802.424130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.424130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.424130 (E_RNA)
where:
Base-Base interactions energy: -531.932
where: short stacking energy: -235.607
Base-Backbone interact. energy: -1.766
local terms energy: -268.726561
where:
bonds (distance) C4'-P energy: -48.979
bonds (distance) P-C4' energy: -60.319
flat angles C4'-P-C4' energy: -61.032
flat angles P-C4'-P energy: -42.654
tors. eta vs tors. theta energy: -55.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -709.146521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.146521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.146521 (E_RNA)
where:
Base-Base interactions energy: -454.872
where: short stacking energy: -196.951
Base-Backbone interact. energy: -1.468
local terms energy: -255.669867
where:
bonds (distance) C4'-P energy: -49.001
bonds (distance) P-C4' energy: -55.667
flat angles C4'-P-C4' energy: -57.978
flat angles P-C4'-P energy: -41.741
tors. eta vs tors. theta energy: -51.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.864 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -364.005930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.005930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.005930 (E_RNA)
where:
Base-Base interactions energy: -188.856
where: short stacking energy: -91.308
Base-Backbone interact. energy: -1.777
local terms energy: -173.372445
where:
bonds (distance) C4'-P energy: -43.952
bonds (distance) P-C4' energy: -48.420
flat angles C4'-P-C4' energy: -46.025
flat angles P-C4'-P energy: -35.554
tors. eta vs tors. theta energy: 0.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -442.266933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.266933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.266933 (E_RNA)
where:
Base-Base interactions energy: -238.555
where: short stacking energy: -136.008
Base-Backbone interact. energy: -0.461
local terms energy: -203.250047
where:
bonds (distance) C4'-P energy: -50.238
bonds (distance) P-C4' energy: -53.033
flat angles C4'-P-C4' energy: -43.588
flat angles P-C4'-P energy: -31.065
tors. eta vs tors. theta energy: -25.326
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: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -347.719260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.719260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.719260 (E_RNA)
where:
Base-Base interactions energy: -152.949
where: short stacking energy: -102.236
Base-Backbone interact. energy: -2.946
local terms energy: -191.823648
where:
bonds (distance) C4'-P energy: -63.491
bonds (distance) P-C4' energy: -56.334
flat angles C4'-P-C4' energy: -52.803
flat angles P-C4'-P energy: -29.315
tors. eta vs tors. theta energy: 10.119
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: 8
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1083.769387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.769387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.769387 (E_RNA)
where:
Base-Base interactions energy: -756.385
where: short stacking energy: -313.672
Base-Backbone interact. energy: -0.775
local terms energy: -326.608944
where:
bonds (distance) C4'-P energy: -58.829
bonds (distance) P-C4' energy: -63.798
flat angles C4'-P-C4' energy: -73.740
flat angles P-C4'-P energy: -43.153
tors. eta vs tors. theta energy: -87.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1020.745653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.745653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.745653 (E_RNA)
where:
Base-Base interactions energy: -679.446
where: short stacking energy: -309.780
Base-Backbone interact. energy: -1.997
local terms energy: -339.302531
where:
bonds (distance) C4'-P energy: -70.920
bonds (distance) P-C4' energy: -61.127
flat angles C4'-P-C4' energy: -72.172
flat angles P-C4'-P energy: -51.403
tors. eta vs tors. theta energy: -83.681
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: 430
Temperature: 1.000000
Total energy: -1003.813625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.813625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.813625 (E_RNA)
where:
Base-Base interactions energy: -672.252
where: short stacking energy: -279.079
Base-Backbone interact. energy: -2.589
local terms energy: -328.972751
where:
bonds (distance) C4'-P energy: -56.161
bonds (distance) P-C4' energy: -70.178
flat angles C4'-P-C4' energy: -76.622
flat angles P-C4'-P energy: -49.743
tors. eta vs tors. theta energy: -76.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -929.688585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.688585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.688585 (E_RNA)
where:
Base-Base interactions energy: -627.909
where: short stacking energy: -280.258
Base-Backbone interact. energy: -0.893
local terms energy: -300.887115
where:
bonds (distance) C4'-P energy: -66.532
bonds (distance) P-C4' energy: -62.730
flat angles C4'-P-C4' energy: -57.576
flat angles P-C4'-P energy: -45.192
tors. eta vs tors. theta energy: -68.857
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: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -886.127868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.127868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.127868 (E_RNA)
where:
Base-Base interactions energy: -618.600
where: short stacking energy: -255.754
Base-Backbone interact. energy: -1.805
local terms energy: -265.722750
where:
bonds (distance) C4'-P energy: -58.617
bonds (distance) P-C4' energy: -51.875
flat angles C4'-P-C4' energy: -61.309
flat angles P-C4'-P energy: -36.171
tors. eta vs tors. theta energy: -57.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -846.483921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.483921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.483921 (E_RNA)
where:
Base-Base interactions energy: -549.864
where: short stacking energy: -222.220
Base-Backbone interact. energy: -0.895
local terms energy: -295.725288
where:
bonds (distance) C4'-P energy: -62.829
bonds (distance) P-C4' energy: -60.163
flat angles C4'-P-C4' energy: -63.619
flat angles P-C4'-P energy: -45.226
tors. eta vs tors. theta energy: -63.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -703.160177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.160177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.160177 (E_RNA)
where:
Base-Base interactions energy: -440.591
where: short stacking energy: -196.814
Base-Backbone interact. energy: 1.283
local terms energy: -263.852360
where:
bonds (distance) C4'-P energy: -62.168
bonds (distance) P-C4' energy: -60.615
flat angles C4'-P-C4' energy: -66.805
flat angles P-C4'-P energy: -20.725
tors. eta vs tors. theta energy: -53.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -452.287519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.287519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.287519 (E_RNA)
where:
Base-Base interactions energy: -260.115
where: short stacking energy: -119.570
Base-Backbone interact. energy: -2.095
local terms energy: -190.077451
where:
bonds (distance) C4'-P energy: -50.398
bonds (distance) P-C4' energy: -70.838
flat angles C4'-P-C4' energy: -48.233
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -380.080740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.080740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.080740 (E_RNA)
where:
Base-Base interactions energy: -196.965
where: short stacking energy: -103.589
Base-Backbone interact. energy: 3.218
local terms energy: -186.333763
where:
bonds (distance) C4'-P energy: -45.428
bonds (distance) P-C4' energy: -60.072
flat angles C4'-P-C4' energy: -56.624
flat angles P-C4'-P energy: -27.896
tors. eta vs tors. theta energy: 3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -388.597575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.597575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.597575 (E_RNA)
where:
Base-Base interactions energy: -207.983
where: short stacking energy: -103.767
Base-Backbone interact. energy: -0.097
local terms energy: -180.517793
where:
bonds (distance) C4'-P energy: -49.727
bonds (distance) P-C4' energy: -60.340
flat angles C4'-P-C4' energy: -49.796
flat angles P-C4'-P energy: -23.005
tors. eta vs tors. theta energy: 2.350
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: 8
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1095.700598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.700598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.700598 (E_RNA)
where:
Base-Base interactions energy: -754.840
where: short stacking energy: -300.254
Base-Backbone interact. energy: -2.383
local terms energy: -338.477471
where:
bonds (distance) C4'-P energy: -71.828
bonds (distance) P-C4' energy: -66.226
flat angles C4'-P-C4' energy: -71.838
flat angles P-C4'-P energy: -48.691
tors. eta vs tors. theta energy: -79.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1044.013440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.013440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.013440 (E_RNA)
where:
Base-Base interactions energy: -710.899
where: short stacking energy: -308.268
Base-Backbone interact. energy: -2.341
local terms energy: -330.773892
where:
bonds (distance) C4'-P energy: -55.366
bonds (distance) P-C4' energy: -66.863
flat angles C4'-P-C4' energy: -63.011
flat angles P-C4'-P energy: -49.819
tors. eta vs tors. theta energy: -95.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -991.098098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.098098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.098098 (E_RNA)
where:
Base-Base interactions energy: -667.149
where: short stacking energy: -276.658
Base-Backbone interact. energy: -2.699
local terms energy: -321.249775
where:
bonds (distance) C4'-P energy: -56.486
bonds (distance) P-C4' energy: -62.071
flat angles C4'-P-C4' energy: -73.365
flat angles P-C4'-P energy: -49.092
tors. eta vs tors. theta energy: -80.236
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: 431
Temperature: 1.050000
Total energy: -918.799503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.799503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.799503 (E_RNA)
where:
Base-Base interactions energy: -632.161
where: short stacking energy: -270.440
Base-Backbone interact. energy: -3.657
local terms energy: -282.981226
where:
bonds (distance) C4'-P energy: -56.445
bonds (distance) P-C4' energy: -64.646
flat angles C4'-P-C4' energy: -58.000
flat angles P-C4'-P energy: -37.582
tors. eta vs tors. theta energy: -66.308
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: 6
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -873.944588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.944588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.944588 (E_RNA)
where:
Base-Base interactions energy: -581.333
where: short stacking energy: -268.260
Base-Backbone interact. energy: -2.480
local terms energy: -290.131357
where:
bonds (distance) C4'-P energy: -52.261
bonds (distance) P-C4' energy: -61.500
flat angles C4'-P-C4' energy: -65.965
flat angles P-C4'-P energy: -40.163
tors. eta vs tors. theta energy: -70.243
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: 431
Temperature: 1.150000
Total energy: -788.885753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.885753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.885753 (E_RNA)
where:
Base-Base interactions energy: -513.676
where: short stacking energy: -235.104
Base-Backbone interact. energy: -0.636
local terms energy: -274.574211
where:
bonds (distance) C4'-P energy: -58.904
bonds (distance) P-C4' energy: -57.898
flat angles C4'-P-C4' energy: -65.345
flat angles P-C4'-P energy: -30.472
tors. eta vs tors. theta energy: -61.955
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: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -712.933244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.933244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.933244 (E_RNA)
where:
Base-Base interactions energy: -462.592
where: short stacking energy: -187.859
Base-Backbone interact. energy: -1.149
local terms energy: -249.192057
where:
bonds (distance) C4'-P energy: -42.873
bonds (distance) P-C4' energy: -58.100
flat angles C4'-P-C4' energy: -65.340
flat angles P-C4'-P energy: -38.129
tors. eta vs tors. theta energy: -44.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -527.279817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.279817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.279817 (E_RNA)
where:
Base-Base interactions energy: -291.060
where: short stacking energy: -138.383
Base-Backbone interact. energy: 0.026
local terms energy: -236.246056
where:
bonds (distance) C4'-P energy: -48.746
bonds (distance) P-C4' energy: -66.100
flat angles C4'-P-C4' energy: -47.138
flat angles P-C4'-P energy: -44.640
tors. eta vs tors. theta energy: -29.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -363.161487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.161487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.161487 (E_RNA)
where:
Base-Base interactions energy: -169.210
where: short stacking energy: -81.814
Base-Backbone interact. energy: -1.150
local terms energy: -192.801407
where:
bonds (distance) C4'-P energy: -58.340
bonds (distance) P-C4' energy: -57.458
flat angles C4'-P-C4' energy: -49.994
flat angles P-C4'-P energy: -23.987
tors. eta vs tors. theta energy: -3.023
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: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -400.733353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.733353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.733353 (E_RNA)
where:
Base-Base interactions energy: -201.866
where: short stacking energy: -110.190
Base-Backbone interact. energy: -3.050
local terms energy: -195.816854
where:
bonds (distance) C4'-P energy: -41.297
bonds (distance) P-C4' energy: -56.193
flat angles C4'-P-C4' energy: -50.793
flat angles P-C4'-P energy: -35.828
tors. eta vs tors. theta energy: -11.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1103.058701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.058701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.058701 (E_RNA)
where:
Base-Base interactions energy: -758.897
where: short stacking energy: -307.570
Base-Backbone interact. energy: -0.773
local terms energy: -343.389019
where:
bonds (distance) C4'-P energy: -62.380
bonds (distance) P-C4' energy: -68.374
flat angles C4'-P-C4' energy: -84.814
flat angles P-C4'-P energy: -49.883
tors. eta vs tors. theta energy: -77.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1045.706069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.706069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.706069 (E_RNA)
where:
Base-Base interactions energy: -717.319
where: short stacking energy: -307.284
Base-Backbone interact. energy: -1.850
local terms energy: -326.536715
where:
bonds (distance) C4'-P energy: -52.745
bonds (distance) P-C4' energy: -72.389
flat angles C4'-P-C4' energy: -69.585
flat angles P-C4'-P energy: -38.834
tors. eta vs tors. theta energy: -92.983
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: 2
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -973.660811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.660811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.660811 (E_RNA)
where:
Base-Base interactions energy: -663.137
where: short stacking energy: -292.799
Base-Backbone interact. energy: -2.707
local terms energy: -307.816611
where:
bonds (distance) C4'-P energy: -61.839
bonds (distance) P-C4' energy: -62.856
flat angles C4'-P-C4' energy: -65.334
flat angles P-C4'-P energy: -40.734
tors. eta vs tors. theta energy: -77.055
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: 4, replica: 9
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -924.795408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.795408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.795408 (E_RNA)
where:
Base-Base interactions energy: -615.658
where: short stacking energy: -274.610
Base-Backbone interact. energy: -3.132
local terms energy: -307.433399
where:
bonds (distance) C4'-P energy: -51.718
bonds (distance) P-C4' energy: -59.416
flat angles C4'-P-C4' energy: -67.045
flat angles P-C4'-P energy: -46.990
tors. eta vs tors. theta energy: -82.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.428 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -851.888245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.888245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.888245 (E_RNA)
where:
Base-Base interactions energy: -557.644
where: short stacking energy: -279.097
Base-Backbone interact. energy: 0.614
local terms energy: -294.858163
where:
bonds (distance) C4'-P energy: -55.088
bonds (distance) P-C4' energy: -54.142
flat angles C4'-P-C4' energy: -65.981
flat angles P-C4'-P energy: -47.101
tors. eta vs tors. theta energy: -72.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -778.106354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.106354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.106354 (E_RNA)
where:
Base-Base interactions energy: -536.055
where: short stacking energy: -219.983
Base-Backbone interact. energy: 1.513
local terms energy: -243.565134
where:
bonds (distance) C4'-P energy: -49.804
bonds (distance) P-C4' energy: -58.300
flat angles C4'-P-C4' energy: -53.496
flat angles P-C4'-P energy: -35.075
tors. eta vs tors. theta energy: -46.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -675.004210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.004210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.004210 (E_RNA)
where:
Base-Base interactions energy: -419.406
where: short stacking energy: -187.523
Base-Backbone interact. energy: 1.094
local terms energy: -256.692981
where:
bonds (distance) C4'-P energy: -52.864
bonds (distance) P-C4' energy: -54.427
flat angles C4'-P-C4' energy: -63.739
flat angles P-C4'-P energy: -38.941
tors. eta vs tors. theta energy: -46.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -487.776570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.776570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.776570 (E_RNA)
where:
Base-Base interactions energy: -264.938
where: short stacking energy: -129.572
Base-Backbone interact. energy: 0.510
local terms energy: -223.348413
where:
bonds (distance) C4'-P energy: -52.062
bonds (distance) P-C4' energy: -54.095
flat angles C4'-P-C4' energy: -59.865
flat angles P-C4'-P energy: -49.783
tors. eta vs tors. theta energy: -7.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -394.811394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.811394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.811394 (E_RNA)
where:
Base-Base interactions energy: -219.306
where: short stacking energy: -102.882
Base-Backbone interact. energy: 2.301
local terms energy: -177.805726
where:
bonds (distance) C4'-P energy: -40.821
bonds (distance) P-C4' energy: -66.205
flat angles C4'-P-C4' energy: -39.242
flat angles P-C4'-P energy: -30.098
tors. eta vs tors. theta energy: -1.441
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: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -338.673423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.673423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.673423 (E_RNA)
where:
Base-Base interactions energy: -155.638
where: short stacking energy: -93.674
Base-Backbone interact. energy: -1.705
local terms energy: -181.330364
where:
bonds (distance) C4'-P energy: -40.587
bonds (distance) P-C4' energy: -55.760
flat angles C4'-P-C4' energy: -58.071
flat angles P-C4'-P energy: -28.447
tors. eta vs tors. theta energy: 1.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1110.057493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.057493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.057493 (E_RNA)
where:
Base-Base interactions energy: -782.370
where: short stacking energy: -325.741
Base-Backbone interact. energy: -1.367
local terms energy: -326.319838
where:
bonds (distance) C4'-P energy: -56.632
bonds (distance) P-C4' energy: -63.559
flat angles C4'-P-C4' energy: -71.701
flat angles P-C4'-P energy: -53.176
tors. eta vs tors. theta energy: -81.252
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: 4
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1071.955653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.955653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.955653 (E_RNA)
where:
Base-Base interactions energy: -726.212
where: short stacking energy: -333.743
Base-Backbone interact. energy: -2.243
local terms energy: -344.177963
where:
bonds (distance) C4'-P energy: -57.269
bonds (distance) P-C4' energy: -61.071
flat angles C4'-P-C4' energy: -75.348
flat angles P-C4'-P energy: -54.763
tors. eta vs tors. theta energy: -95.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.678 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -994.992484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.992484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.992484 (E_RNA)
where:
Base-Base interactions energy: -674.735
where: short stacking energy: -278.514
Base-Backbone interact. energy: -3.295
local terms energy: -316.962600
where:
bonds (distance) C4'-P energy: -50.284
bonds (distance) P-C4' energy: -65.121
flat angles C4'-P-C4' energy: -71.586
flat angles P-C4'-P energy: -46.069
tors. eta vs tors. theta energy: -83.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -927.850228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.850228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.850228 (E_RNA)
where:
Base-Base interactions energy: -649.015
where: short stacking energy: -268.321
Base-Backbone interact. energy: -1.343
local terms energy: -277.492735
where:
bonds (distance) C4'-P energy: -56.587
bonds (distance) P-C4' energy: -57.998
flat angles C4'-P-C4' energy: -62.124
flat angles P-C4'-P energy: -36.166
tors. eta vs tors. theta energy: -64.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -867.458659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.458659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.458659 (E_RNA)
where:
Base-Base interactions energy: -579.055
where: short stacking energy: -263.162
Base-Backbone interact. energy: -1.584
local terms energy: -286.820329
where:
bonds (distance) C4'-P energy: -47.992
bonds (distance) P-C4' energy: -57.754
flat angles C4'-P-C4' energy: -63.612
flat angles P-C4'-P energy: -48.916
tors. eta vs tors. theta energy: -68.546
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: 6
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -818.647121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.647121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.647121 (E_RNA)
where:
Base-Base interactions energy: -547.706
where: short stacking energy: -231.431
Base-Backbone interact. energy: 0.342
local terms energy: -271.283426
where:
bonds (distance) C4'-P energy: -58.596
bonds (distance) P-C4' energy: -59.582
flat angles C4'-P-C4' energy: -57.081
flat angles P-C4'-P energy: -42.184
tors. eta vs tors. theta energy: -53.841
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: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -606.501169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.501169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.501169 (E_RNA)
where:
Base-Base interactions energy: -369.039
where: short stacking energy: -160.538
Base-Backbone interact. energy: -1.702
local terms energy: -235.760435
where:
bonds (distance) C4'-P energy: -53.364
bonds (distance) P-C4' energy: -48.143
flat angles C4'-P-C4' energy: -55.619
flat angles P-C4'-P energy: -43.343
tors. eta vs tors. theta energy: -35.291
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: 8, replica: 1
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -459.567359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.567359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.567359 (E_RNA)
where:
Base-Base interactions energy: -253.221
where: short stacking energy: -122.186
Base-Backbone interact. energy: -0.687
local terms energy: -205.659223
where:
bonds (distance) C4'-P energy: -50.325
bonds (distance) P-C4' energy: -56.387
flat angles C4'-P-C4' energy: -36.515
flat angles P-C4'-P energy: -46.546
tors. eta vs tors. theta energy: -15.887
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: 433
Temperature: 1.300000
Total energy: -439.646244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.646244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.646244 (E_RNA)
where:
Base-Base interactions energy: -261.957
where: short stacking energy: -135.799
Base-Backbone interact. energy: 1.522
local terms energy: -179.210551
where:
bonds (distance) C4'-P energy: -47.309
bonds (distance) P-C4' energy: -57.755
flat angles C4'-P-C4' energy: -36.653
flat angles P-C4'-P energy: -28.527
tors. eta vs tors. theta energy: -8.967
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: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -332.964919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.964919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.964919 (E_RNA)
where:
Base-Base interactions energy: -165.447
where: short stacking energy: -98.775
Base-Backbone interact. energy: -2.087
local terms energy: -165.431737
where:
bonds (distance) C4'-P energy: -48.873
bonds (distance) P-C4' energy: -51.461
flat angles C4'-P-C4' energy: -34.643
flat angles P-C4'-P energy: -29.451
tors. eta vs tors. theta energy: -1.003
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: 8
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1096.225338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.225338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.225338 (E_RNA)
where:
Base-Base interactions energy: -744.684
where: short stacking energy: -324.796
Base-Backbone interact. energy: -2.575
local terms energy: -348.965715
where:
bonds (distance) C4'-P energy: -64.322
bonds (distance) P-C4' energy: -72.984
flat angles C4'-P-C4' energy: -73.173
flat angles P-C4'-P energy: -45.723
tors. eta vs tors. theta energy: -92.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -1028.780341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.780341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.780341 (E_RNA)
where:
Base-Base interactions energy: -697.326
where: short stacking energy: -306.978
Base-Backbone interact. energy: -1.533
local terms energy: -329.921204
where:
bonds (distance) C4'-P energy: -58.969
bonds (distance) P-C4' energy: -64.449
flat angles C4'-P-C4' energy: -64.471
flat angles P-C4'-P energy: -47.939
tors. eta vs tors. theta energy: -94.093
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: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1030.655603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.655603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.655603 (E_RNA)
where:
Base-Base interactions energy: -723.813
where: short stacking energy: -296.243
Base-Backbone interact. energy: -3.959
local terms energy: -302.883690
where:
bonds (distance) C4'-P energy: -55.025
bonds (distance) P-C4' energy: -56.629
flat angles C4'-P-C4' energy: -62.820
flat angles P-C4'-P energy: -48.830
tors. eta vs tors. theta energy: -79.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -933.365116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.365116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.365116 (E_RNA)
where:
Base-Base interactions energy: -620.970
where: short stacking energy: -291.462
Base-Backbone interact. energy: -1.188
local terms energy: -312.303048
where:
bonds (distance) C4'-P energy: -59.242
bonds (distance) P-C4' energy: -53.713
flat angles C4'-P-C4' energy: -67.083
flat angles P-C4'-P energy: -49.298
tors. eta vs tors. theta energy: -82.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.095 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -886.329402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.329402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.329402 (E_RNA)
where:
Base-Base interactions energy: -589.708
where: short stacking energy: -271.589
Base-Backbone interact. energy: -1.968
local terms energy: -294.653243
where:
bonds (distance) C4'-P energy: -57.195
bonds (distance) P-C4' energy: -59.080
flat angles C4'-P-C4' energy: -65.302
flat angles P-C4'-P energy: -37.961
tors. eta vs tors. theta energy: -75.115
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: 434
Temperature: 1.150000
Total energy: -839.136164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.136164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.136164 (E_RNA)
where:
Base-Base interactions energy: -562.133
where: short stacking energy: -259.844
Base-Backbone interact. energy: -0.330
local terms energy: -276.717656
where:
bonds (distance) C4'-P energy: -58.710
bonds (distance) P-C4' energy: -57.967
flat angles C4'-P-C4' energy: -58.455
flat angles P-C4'-P energy: -39.548
tors. eta vs tors. theta energy: -62.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.044 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -667.348902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.348902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.348902 (E_RNA)
where:
Base-Base interactions energy: -416.414
where: short stacking energy: -177.083
Base-Backbone interact. energy: 2.260
local terms energy: -253.194336
where:
bonds (distance) C4'-P energy: -57.394
bonds (distance) P-C4' energy: -62.880
flat angles C4'-P-C4' energy: -53.571
flat angles P-C4'-P energy: -41.292
tors. eta vs tors. theta energy: -38.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -480.071452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.071452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.071452 (E_RNA)
where:
Base-Base interactions energy: -257.335
where: short stacking energy: -120.706
Base-Backbone interact. energy: -1.803
local terms energy: -221.285887
where:
bonds (distance) C4'-P energy: -61.808
bonds (distance) P-C4' energy: -63.675
flat angles C4'-P-C4' energy: -52.129
flat angles P-C4'-P energy: -28.200
tors. eta vs tors. theta energy: -15.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.352 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -386.277268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.277268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.277268 (E_RNA)
where:
Base-Base interactions energy: -195.840
where: short stacking energy: -98.013
Base-Backbone interact. energy: 1.599
local terms energy: -192.035975
where:
bonds (distance) C4'-P energy: -47.339
bonds (distance) P-C4' energy: -51.451
flat angles C4'-P-C4' energy: -57.573
flat angles P-C4'-P energy: -27.382
tors. eta vs tors. theta energy: -8.291
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: 10, replica: 7
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -428.155426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.155426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.155426 (E_RNA)
where:
Base-Base interactions energy: -203.610
where: short stacking energy: -110.293
Base-Backbone interact. energy: -1.530
local terms energy: -223.015756
where:
bonds (distance) C4'-P energy: -57.440
bonds (distance) P-C4' energy: -64.445
flat angles C4'-P-C4' energy: -46.776
flat angles P-C4'-P energy: -39.766
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1104.308340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.308340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.308340 (E_RNA)
where:
Base-Base interactions energy: -753.828
where: short stacking energy: -320.853
Base-Backbone interact. energy: -0.295
local terms energy: -350.185342
where:
bonds (distance) C4'-P energy: -61.334
bonds (distance) P-C4' energy: -73.174
flat angles C4'-P-C4' energy: -76.268
flat angles P-C4'-P energy: -52.375
tors. eta vs tors. theta energy: -87.035
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: 435
Temperature: 0.950000
Total energy: -1035.497213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.497213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.497213 (E_RNA)
where:
Base-Base interactions energy: -715.554
where: short stacking energy: -315.290
Base-Backbone interact. energy: -3.864
local terms energy: -316.078776
where:
bonds (distance) C4'-P energy: -52.577
bonds (distance) P-C4' energy: -68.258
flat angles C4'-P-C4' energy: -61.917
flat angles P-C4'-P energy: -43.499
tors. eta vs tors. theta energy: -89.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1016.880788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.880788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.880788 (E_RNA)
where:
Base-Base interactions energy: -690.784
where: short stacking energy: -302.661
Base-Backbone interact. energy: -1.110
local terms energy: -324.986387
where:
bonds (distance) C4'-P energy: -58.624
bonds (distance) P-C4' energy: -62.553
flat angles C4'-P-C4' energy: -70.960
flat angles P-C4'-P energy: -46.249
tors. eta vs tors. theta energy: -86.601
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: 4, replica: 9
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -943.963324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.963324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.963324 (E_RNA)
where:
Base-Base interactions energy: -638.928
where: short stacking energy: -278.890
Base-Backbone interact. energy: 0.698
local terms energy: -305.733757
where:
bonds (distance) C4'-P energy: -60.643
bonds (distance) P-C4' energy: -67.689
flat angles C4'-P-C4' energy: -65.428
flat angles P-C4'-P energy: -38.685
tors. eta vs tors. theta energy: -73.288
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: 5, replica: 6
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -875.716583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.716583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.716583 (E_RNA)
where:
Base-Base interactions energy: -604.384
where: short stacking energy: -257.229
Base-Backbone interact. energy: 2.309
local terms energy: -273.641391
where:
bonds (distance) C4'-P energy: -50.702
bonds (distance) P-C4' energy: -65.221
flat angles C4'-P-C4' energy: -64.982
flat angles P-C4'-P energy: -37.037
tors. eta vs tors. theta energy: -55.699
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: 435
Temperature: 1.150000
Total energy: -836.723351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.723351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.723351 (E_RNA)
where:
Base-Base interactions energy: -568.127
where: short stacking energy: -253.912
Base-Backbone interact. energy: 1.729
local terms energy: -270.325304
where:
bonds (distance) C4'-P energy: -48.507
bonds (distance) P-C4' energy: -57.437
flat angles C4'-P-C4' energy: -61.342
flat angles P-C4'-P energy: -41.859
tors. eta vs tors. theta energy: -61.180
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: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -684.403171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.403171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.403171 (E_RNA)
where:
Base-Base interactions energy: -438.197
where: short stacking energy: -184.186
Base-Backbone interact. energy: -1.305
local terms energy: -244.900606
where:
bonds (distance) C4'-P energy: -52.867
bonds (distance) P-C4' energy: -59.930
flat angles C4'-P-C4' energy: -69.531
flat angles P-C4'-P energy: -27.764
tors. eta vs tors. theta energy: -34.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -449.315036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.315036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.315036 (E_RNA)
where:
Base-Base interactions energy: -253.512
where: short stacking energy: -116.903
Base-Backbone interact. energy: -1.170
local terms energy: -194.632824
where:
bonds (distance) C4'-P energy: -44.534
bonds (distance) P-C4' energy: -57.361
flat angles C4'-P-C4' energy: -55.907
flat angles P-C4'-P energy: -32.672
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -361.879130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.879130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.879130 (E_RNA)
where:
Base-Base interactions energy: -168.186
where: short stacking energy: -107.643
Base-Backbone interact. energy: -1.843
local terms energy: -191.849803
where:
bonds (distance) C4'-P energy: -50.667
bonds (distance) P-C4' energy: -61.924
flat angles C4'-P-C4' energy: -60.827
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -5.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -362.994885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.994885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.994885 (E_RNA)
where:
Base-Base interactions energy: -183.439
where: short stacking energy: -84.530
Base-Backbone interact. energy: -0.656
local terms energy: -178.900063
where:
bonds (distance) C4'-P energy: -56.316
bonds (distance) P-C4' energy: -52.064
flat angles C4'-P-C4' energy: -52.485
flat angles P-C4'-P energy: -26.117
tors. eta vs tors. theta energy: 8.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1078.906861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.906861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.906861 (E_RNA)
where:
Base-Base interactions energy: -741.366
where: short stacking energy: -322.469
Base-Backbone interact. energy: -0.663
local terms energy: -336.877979
where:
bonds (distance) C4'-P energy: -66.204
bonds (distance) P-C4' energy: -66.895
flat angles C4'-P-C4' energy: -67.739
flat angles P-C4'-P energy: -46.932
tors. eta vs tors. theta energy: -89.108
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: 2, replica: 8
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1062.190900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.190900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.190900 (E_RNA)
where:
Base-Base interactions energy: -736.214
where: short stacking energy: -298.356
Base-Backbone interact. energy: -2.992
local terms energy: -322.984318
where:
bonds (distance) C4'-P energy: -64.448
bonds (distance) P-C4' energy: -62.682
flat angles C4'-P-C4' energy: -65.321
flat angles P-C4'-P energy: -43.332
tors. eta vs tors. theta energy: -87.202
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: 436
Temperature: 1.000000
Total energy: -977.623841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.623841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.623841 (E_RNA)
where:
Base-Base interactions energy: -660.445
where: short stacking energy: -294.775
Base-Backbone interact. energy: -2.017
local terms energy: -315.161193
where:
bonds (distance) C4'-P energy: -57.963
bonds (distance) P-C4' energy: -74.811
flat angles C4'-P-C4' energy: -65.894
flat angles P-C4'-P energy: -33.188
tors. eta vs tors. theta energy: -83.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -969.675614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.675614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.675614 (E_RNA)
where:
Base-Base interactions energy: -663.928
where: short stacking energy: -286.737
Base-Backbone interact. energy: -2.098
local terms energy: -303.666554
where:
bonds (distance) C4'-P energy: -59.362
bonds (distance) P-C4' energy: -55.664
flat angles C4'-P-C4' energy: -65.216
flat angles P-C4'-P energy: -40.983
tors. eta vs tors. theta energy: -82.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.017 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -874.862619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.862619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.862619 (E_RNA)
where:
Base-Base interactions energy: -598.125
where: short stacking energy: -257.235
Base-Backbone interact. energy: -1.206
local terms energy: -275.531977
where:
bonds (distance) C4'-P energy: -60.759
bonds (distance) P-C4' energy: -43.060
flat angles C4'-P-C4' energy: -61.649
flat angles P-C4'-P energy: -47.403
tors. eta vs tors. theta energy: -62.661
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: 436
Temperature: 1.150000
Total energy: -840.676965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.676965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.676965 (E_RNA)
where:
Base-Base interactions energy: -569.173
where: short stacking energy: -258.951
Base-Backbone interact. energy: 0.161
local terms energy: -271.665070
where:
bonds (distance) C4'-P energy: -60.064
bonds (distance) P-C4' energy: -44.967
flat angles C4'-P-C4' energy: -60.283
flat angles P-C4'-P energy: -40.469
tors. eta vs tors. theta energy: -65.882
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: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -724.621381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.621381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.621381 (E_RNA)
where:
Base-Base interactions energy: -456.294
where: short stacking energy: -209.627
Base-Backbone interact. energy: -2.250
local terms energy: -266.077153
where:
bonds (distance) C4'-P energy: -54.356
bonds (distance) P-C4' energy: -61.130
flat angles C4'-P-C4' energy: -65.972
flat angles P-C4'-P energy: -29.729
tors. eta vs tors. theta energy: -54.890
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: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -533.858374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.858374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.858374 (E_RNA)
where:
Base-Base interactions energy: -289.933
where: short stacking energy: -152.682
Base-Backbone interact. energy: -3.089
local terms energy: -240.836594
where:
bonds (distance) C4'-P energy: -60.242
bonds (distance) P-C4' energy: -51.790
flat angles C4'-P-C4' energy: -54.151
flat angles P-C4'-P energy: -43.060
tors. eta vs tors. theta energy: -31.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -392.472515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.472515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.472515 (E_RNA)
where:
Base-Base interactions energy: -199.857
where: short stacking energy: -115.359
Base-Backbone interact. energy: -1.491
local terms energy: -191.124770
where:
bonds (distance) C4'-P energy: -39.478
bonds (distance) P-C4' energy: -52.736
flat angles C4'-P-C4' energy: -62.925
flat angles P-C4'-P energy: -24.023
tors. eta vs tors. theta energy: -11.962
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: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -371.421908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.421908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.421908 (E_RNA)
where:
Base-Base interactions energy: -175.220
where: short stacking energy: -95.765
Base-Backbone interact. energy: 0.446
local terms energy: -196.647421
where:
bonds (distance) C4'-P energy: -59.578
bonds (distance) P-C4' energy: -52.412
flat angles C4'-P-C4' energy: -62.184
flat angles P-C4'-P energy: -23.607
tors. eta vs tors. theta energy: 1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1061.421827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.421827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.421827 (E_RNA)
where:
Base-Base interactions energy: -711.120
where: short stacking energy: -287.256
Base-Backbone interact. energy: -2.025
local terms energy: -348.277255
where:
bonds (distance) C4'-P energy: -72.282
bonds (distance) P-C4' energy: -69.590
flat angles C4'-P-C4' energy: -65.099
flat angles P-C4'-P energy: -51.616
tors. eta vs tors. theta energy: -89.690
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: 8
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1069.316327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.316327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.316327 (E_RNA)
where:
Base-Base interactions energy: -741.041
where: short stacking energy: -294.079
Base-Backbone interact. energy: -0.373
local terms energy: -327.902371
where:
bonds (distance) C4'-P energy: -62.950
bonds (distance) P-C4' energy: -68.904
flat angles C4'-P-C4' energy: -75.318
flat angles P-C4'-P energy: -37.867
tors. eta vs tors. theta energy: -82.863
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: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -970.869998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.869998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.869998 (E_RNA)
where:
Base-Base interactions energy: -651.385
where: short stacking energy: -291.943
Base-Backbone interact. energy: -2.951
local terms energy: -316.533776
where:
bonds (distance) C4'-P energy: -58.035
bonds (distance) P-C4' energy: -54.987
flat angles C4'-P-C4' energy: -68.682
flat angles P-C4'-P energy: -49.941
tors. eta vs tors. theta energy: -84.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -958.254693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.254693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.254693 (E_RNA)
where:
Base-Base interactions energy: -648.271
where: short stacking energy: -273.993
Base-Backbone interact. energy: -0.869
local terms energy: -309.115419
where:
bonds (distance) C4'-P energy: -66.010
bonds (distance) P-C4' energy: -62.775
flat angles C4'-P-C4' energy: -66.912
flat angles P-C4'-P energy: -39.945
tors. eta vs tors. theta energy: -73.473
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: 5, replica: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -858.915116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.915116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.915116 (E_RNA)
where:
Base-Base interactions energy: -575.015
where: short stacking energy: -247.859
Base-Backbone interact. energy: -0.226
local terms energy: -283.674124
where:
bonds (distance) C4'-P energy: -61.264
bonds (distance) P-C4' energy: -55.379
flat angles C4'-P-C4' energy: -61.512
flat angles P-C4'-P energy: -48.649
tors. eta vs tors. theta energy: -56.870
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: 437
Temperature: 1.150000
Total energy: -851.446087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.446087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.446087 (E_RNA)
where:
Base-Base interactions energy: -559.758
where: short stacking energy: -260.613
Base-Backbone interact. energy: -2.784
local terms energy: -289.064871
where:
bonds (distance) C4'-P energy: -52.072
bonds (distance) P-C4' energy: -61.323
flat angles C4'-P-C4' energy: -62.112
flat angles P-C4'-P energy: -37.357
tors. eta vs tors. theta energy: -76.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.161 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -641.654235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.654235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.654235 (E_RNA)
where:
Base-Base interactions energy: -384.758
where: short stacking energy: -185.450
Base-Backbone interact. energy: -1.651
local terms energy: -255.245613
where:
bonds (distance) C4'-P energy: -54.474
bonds (distance) P-C4' energy: -63.556
flat angles C4'-P-C4' energy: -58.560
flat angles P-C4'-P energy: -28.680
tors. eta vs tors. theta energy: -49.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -501.657876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.657876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.657876 (E_RNA)
where:
Base-Base interactions energy: -296.573
where: short stacking energy: -169.931
Base-Backbone interact. energy: 0.032
local terms energy: -205.116614
where:
bonds (distance) C4'-P energy: -54.390
bonds (distance) P-C4' energy: -38.892
flat angles C4'-P-C4' energy: -46.196
flat angles P-C4'-P energy: -36.043
tors. eta vs tors. theta energy: -29.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -407.907322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.907322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.907322 (E_RNA)
where:
Base-Base interactions energy: -226.513
where: short stacking energy: -126.336
Base-Backbone interact. energy: -0.129
local terms energy: -181.264466
where:
bonds (distance) C4'-P energy: -50.753
bonds (distance) P-C4' energy: -52.437
flat angles C4'-P-C4' energy: -35.677
flat angles P-C4'-P energy: -28.775
tors. eta vs tors. theta energy: -13.622
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: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -346.913859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.913859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.913859 (E_RNA)
where:
Base-Base interactions energy: -170.949
where: short stacking energy: -105.838
Base-Backbone interact. energy: 0.271
local terms energy: -176.288630
where:
bonds (distance) C4'-P energy: -47.733
bonds (distance) P-C4' energy: -58.106
flat angles C4'-P-C4' energy: -48.901
flat angles P-C4'-P energy: -20.410
tors. eta vs tors. theta energy: -1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.053 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1115.864102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.864102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.864102 (E_RNA)
where:
Base-Base interactions energy: -770.290
where: short stacking energy: -309.937
Base-Backbone interact. energy: -4.155
local terms energy: -341.419459
where:
bonds (distance) C4'-P energy: -64.668
bonds (distance) P-C4' energy: -64.502
flat angles C4'-P-C4' energy: -70.208
flat angles P-C4'-P energy: -53.106
tors. eta vs tors. theta energy: -88.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1041.665354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.665354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.665354 (E_RNA)
where:
Base-Base interactions energy: -697.725
where: short stacking energy: -289.017
Base-Backbone interact. energy: -1.200
local terms energy: -342.740544
where:
bonds (distance) C4'-P energy: -70.887
bonds (distance) P-C4' energy: -64.692
flat angles C4'-P-C4' energy: -73.118
flat angles P-C4'-P energy: -46.888
tors. eta vs tors. theta energy: -87.157
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: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1014.825514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.825514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.825514 (E_RNA)
where:
Base-Base interactions energy: -697.508
where: short stacking energy: -286.238
Base-Backbone interact. energy: -3.029
local terms energy: -314.289139
where:
bonds (distance) C4'-P energy: -50.359
bonds (distance) P-C4' energy: -58.385
flat angles C4'-P-C4' energy: -73.954
flat angles P-C4'-P energy: -49.632
tors. eta vs tors. theta energy: -81.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -939.226771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.226771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.226771 (E_RNA)
where:
Base-Base interactions energy: -646.304
where: short stacking energy: -262.709
Base-Backbone interact. energy: -2.023
local terms energy: -290.899761
where:
bonds (distance) C4'-P energy: -50.045
bonds (distance) P-C4' energy: -52.857
flat angles C4'-P-C4' energy: -71.438
flat angles P-C4'-P energy: -44.028
tors. eta vs tors. theta energy: -72.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -909.593221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.593221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.593221 (E_RNA)
where:
Base-Base interactions energy: -587.766
where: short stacking energy: -262.567
Base-Backbone interact. energy: 0.535
local terms energy: -322.361433
where:
bonds (distance) C4'-P energy: -61.915
bonds (distance) P-C4' energy: -57.814
flat angles C4'-P-C4' energy: -74.303
flat angles P-C4'-P energy: -53.054
tors. eta vs tors. theta energy: -75.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -832.504771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.504771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.504771 (E_RNA)
where:
Base-Base interactions energy: -570.177
where: short stacking energy: -229.432
Base-Backbone interact. energy: 3.560
local terms energy: -265.888144
where:
bonds (distance) C4'-P energy: -56.933
bonds (distance) P-C4' energy: -56.415
flat angles C4'-P-C4' energy: -62.233
flat angles P-C4'-P energy: -31.554
tors. eta vs tors. theta energy: -58.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -648.828699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.828699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.828699 (E_RNA)
where:
Base-Base interactions energy: -409.375
where: short stacking energy: -195.770
Base-Backbone interact. energy: -0.085
local terms energy: -239.368930
where:
bonds (distance) C4'-P energy: -55.325
bonds (distance) P-C4' energy: -67.413
flat angles C4'-P-C4' energy: -52.095
flat angles P-C4'-P energy: -22.281
tors. eta vs tors. theta energy: -42.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -474.113508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.113508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.113508 (E_RNA)
where:
Base-Base interactions energy: -250.234
where: short stacking energy: -152.664
Base-Backbone interact. energy: 2.255
local terms energy: -226.134524
where:
bonds (distance) C4'-P energy: -51.481
bonds (distance) P-C4' energy: -65.982
flat angles C4'-P-C4' energy: -42.732
flat angles P-C4'-P energy: -37.902
tors. eta vs tors. theta energy: -28.038
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: 9, replica: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -357.819447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.819447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.819447 (E_RNA)
where:
Base-Base interactions energy: -164.782
where: short stacking energy: -103.332
Base-Backbone interact. energy: -0.023
local terms energy: -193.013892
where:
bonds (distance) C4'-P energy: -44.200
bonds (distance) P-C4' energy: -70.056
flat angles C4'-P-C4' energy: -49.264
flat angles P-C4'-P energy: -29.946
tors. eta vs tors. theta energy: 0.453
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: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -331.981290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.981290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.981290 (E_RNA)
where:
Base-Base interactions energy: -156.251
where: short stacking energy: -84.372
Base-Backbone interact. energy: -0.136
local terms energy: -175.710357
where:
bonds (distance) C4'-P energy: -54.794
bonds (distance) P-C4' energy: -56.059
flat angles C4'-P-C4' energy: -48.870
flat angles P-C4'-P energy: -28.444
tors. eta vs tors. theta energy: 12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.116 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1102.247979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.247979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.247979 (E_RNA)
where:
Base-Base interactions energy: -775.163
where: short stacking energy: -303.350
Base-Backbone interact. energy: -2.998
local terms energy: -324.087051
where:
bonds (distance) C4'-P energy: -66.588
bonds (distance) P-C4' energy: -59.714
flat angles C4'-P-C4' energy: -62.969
flat angles P-C4'-P energy: -45.795
tors. eta vs tors. theta energy: -89.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1049.079236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.079236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.079236 (E_RNA)
where:
Base-Base interactions energy: -724.457
where: short stacking energy: -307.228
Base-Backbone interact. energy: 1.260
local terms energy: -325.882318
where:
bonds (distance) C4'-P energy: -63.769
bonds (distance) P-C4' energy: -65.514
flat angles C4'-P-C4' energy: -70.155
flat angles P-C4'-P energy: -44.766
tors. eta vs tors. theta energy: -81.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -994.584037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.584037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.584037 (E_RNA)
where:
Base-Base interactions energy: -690.476
where: short stacking energy: -304.212
Base-Backbone interact. energy: -0.806
local terms energy: -303.302764
where:
bonds (distance) C4'-P energy: -52.271
bonds (distance) P-C4' energy: -59.026
flat angles C4'-P-C4' energy: -58.971
flat angles P-C4'-P energy: -51.720
tors. eta vs tors. theta energy: -81.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -918.671712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.671712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.671712 (E_RNA)
where:
Base-Base interactions energy: -605.842
where: short stacking energy: -261.145
Base-Backbone interact. energy: -1.045
local terms energy: -311.784538
where:
bonds (distance) C4'-P energy: -59.865
bonds (distance) P-C4' energy: -56.160
flat angles C4'-P-C4' energy: -67.337
flat angles P-C4'-P energy: -47.024
tors. eta vs tors. theta energy: -81.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -911.253692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.253692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.253692 (E_RNA)
where:
Base-Base interactions energy: -605.799
where: short stacking energy: -283.509
Base-Backbone interact. energy: -0.668
local terms energy: -304.786636
where:
bonds (distance) C4'-P energy: -59.649
bonds (distance) P-C4' energy: -59.285
flat angles C4'-P-C4' energy: -61.547
flat angles P-C4'-P energy: -38.950
tors. eta vs tors. theta energy: -85.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -840.585905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.585905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.585905 (E_RNA)
where:
Base-Base interactions energy: -560.332
where: short stacking energy: -232.367
Base-Backbone interact. energy: -1.677
local terms energy: -278.576982
where:
bonds (distance) C4'-P energy: -54.729
bonds (distance) P-C4' energy: -64.133
flat angles C4'-P-C4' energy: -58.776
flat angles P-C4'-P energy: -37.399
tors. eta vs tors. theta energy: -63.541
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: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -663.424531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.424531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.424531 (E_RNA)
where:
Base-Base interactions energy: -404.832
where: short stacking energy: -194.493
Base-Backbone interact. energy: 1.233
local terms energy: -259.825528
where:
bonds (distance) C4'-P energy: -51.023
bonds (distance) P-C4' energy: -66.160
flat angles C4'-P-C4' energy: -57.473
flat angles P-C4'-P energy: -41.816
tors. eta vs tors. theta energy: -43.354
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: 439
Temperature: 1.250000
Total energy: -475.923952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.923952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.923952 (E_RNA)
where:
Base-Base interactions energy: -267.955
where: short stacking energy: -137.360
Base-Backbone interact. energy: 1.732
local terms energy: -209.701305
where:
bonds (distance) C4'-P energy: -54.039
bonds (distance) P-C4' energy: -51.139
flat angles C4'-P-C4' energy: -60.379
flat angles P-C4'-P energy: -22.125
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -371.324229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.324229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.324229 (E_RNA)
where:
Base-Base interactions energy: -170.780
where: short stacking energy: -104.605
Base-Backbone interact. energy: -1.961
local terms energy: -198.582519
where:
bonds (distance) C4'-P energy: -52.459
bonds (distance) P-C4' energy: -53.425
flat angles C4'-P-C4' energy: -48.706
flat angles P-C4'-P energy: -38.912
tors. eta vs tors. theta energy: -5.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -330.109365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.109365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.109365 (E_RNA)
where:
Base-Base interactions energy: -141.072
where: short stacking energy: -93.733
Base-Backbone interact. energy: 0.888
local terms energy: -189.926034
where:
bonds (distance) C4'-P energy: -57.975
bonds (distance) P-C4' energy: -50.797
flat angles C4'-P-C4' energy: -42.697
flat angles P-C4'-P energy: -41.160
tors. eta vs tors. theta energy: 2.704
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: 1, replica: 8
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1091.549219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.549219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.549219 (E_RNA)
where:
Base-Base interactions energy: -756.471
where: short stacking energy: -319.675
Base-Backbone interact. energy: 2.115
local terms energy: -337.193230
where:
bonds (distance) C4'-P energy: -52.652
bonds (distance) P-C4' energy: -71.479
flat angles C4'-P-C4' energy: -75.018
flat angles P-C4'-P energy: -51.430
tors. eta vs tors. theta energy: -86.615
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: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1041.166231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.166231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.166231 (E_RNA)
where:
Base-Base interactions energy: -717.685
where: short stacking energy: -298.215
Base-Backbone interact. energy: -3.210
local terms energy: -320.271121
where:
bonds (distance) C4'-P energy: -65.863
bonds (distance) P-C4' energy: -58.341
flat angles C4'-P-C4' energy: -63.814
flat angles P-C4'-P energy: -49.390
tors. eta vs tors. theta energy: -82.864
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: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1012.896694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.896694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.896694 (E_RNA)
where:
Base-Base interactions energy: -692.734
where: short stacking energy: -311.258
Base-Backbone interact. energy: 1.166
local terms energy: -321.328575
where:
bonds (distance) C4'-P energy: -62.749
bonds (distance) P-C4' energy: -62.764
flat angles C4'-P-C4' energy: -60.255
flat angles P-C4'-P energy: -44.477
tors. eta vs tors. theta energy: -91.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -935.421958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.421958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.421958 (E_RNA)
where:
Base-Base interactions energy: -607.421
where: short stacking energy: -286.751
Base-Backbone interact. energy: -1.022
local terms energy: -326.978425
where:
bonds (distance) C4'-P energy: -62.999
bonds (distance) P-C4' energy: -58.371
flat angles C4'-P-C4' energy: -71.738
flat angles P-C4'-P energy: -42.759
tors. eta vs tors. theta energy: -91.111
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: 5, replica: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -861.963518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.963518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.963518 (E_RNA)
where:
Base-Base interactions energy: -577.930
where: short stacking energy: -241.766
Base-Backbone interact. energy: 0.599
local terms energy: -284.632962
where:
bonds (distance) C4'-P energy: -52.554
bonds (distance) P-C4' energy: -65.857
flat angles C4'-P-C4' energy: -63.269
flat angles P-C4'-P energy: -44.691
tors. eta vs tors. theta energy: -58.263
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: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -861.952378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.952378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.952378 (E_RNA)
where:
Base-Base interactions energy: -562.442
where: short stacking energy: -253.893
Base-Backbone interact. energy: -0.783
local terms energy: -298.727628
where:
bonds (distance) C4'-P energy: -56.759
bonds (distance) P-C4' energy: -57.119
flat angles C4'-P-C4' energy: -63.427
flat angles P-C4'-P energy: -48.096
tors. eta vs tors. theta energy: -73.327
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: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -651.802419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.802419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.802419 (E_RNA)
where:
Base-Base interactions energy: -394.143
where: short stacking energy: -192.295
Base-Backbone interact. energy: 0.484
local terms energy: -258.143717
where:
bonds (distance) C4'-P energy: -50.038
bonds (distance) P-C4' energy: -64.057
flat angles C4'-P-C4' energy: -55.969
flat angles P-C4'-P energy: -48.437
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: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -502.259601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.259601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.259601 (E_RNA)
where:
Base-Base interactions energy: -296.792
where: short stacking energy: -134.902
Base-Backbone interact. energy: -0.236
local terms energy: -205.231938
where:
bonds (distance) C4'-P energy: -61.177
bonds (distance) P-C4' energy: -53.577
flat angles C4'-P-C4' energy: -56.804
flat angles P-C4'-P energy: -27.044
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -359.567296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.567296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.567296 (E_RNA)
where:
Base-Base interactions energy: -173.085
where: short stacking energy: -106.852
Base-Backbone interact. energy: -1.681
local terms energy: -184.801535
where:
bonds (distance) C4'-P energy: -63.223
bonds (distance) P-C4' energy: -48.441
flat angles C4'-P-C4' energy: -40.797
flat angles P-C4'-P energy: -41.429
tors. eta vs tors. theta energy: 9.089
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: 440
Temperature: 1.350000
Total energy: -384.389205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.389205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.389205 (E_RNA)
where:
Base-Base interactions energy: -197.772
where: short stacking energy: -110.041
Base-Backbone interact. energy: 1.988
local terms energy: -188.605413
where:
bonds (distance) C4'-P energy: -55.487
bonds (distance) P-C4' energy: -47.731
flat angles C4'-P-C4' energy: -44.356
flat angles P-C4'-P energy: -36.578
tors. eta vs tors. theta energy: -4.452
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: 8
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1064.492730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.492730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.492730 (E_RNA)
where:
Base-Base interactions energy: -728.056
where: short stacking energy: -305.106
Base-Backbone interact. energy: -4.029
local terms energy: -332.407281
where:
bonds (distance) C4'-P energy: -68.368
bonds (distance) P-C4' energy: -73.009
flat angles C4'-P-C4' energy: -70.313
flat angles P-C4'-P energy: -40.848
tors. eta vs tors. theta energy: -79.869
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: 2, replica: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1040.587778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.587778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.587778 (E_RNA)
where:
Base-Base interactions energy: -707.900
where: short stacking energy: -287.615
Base-Backbone interact. energy: -1.508
local terms energy: -331.494621
where:
bonds (distance) C4'-P energy: -63.410
bonds (distance) P-C4' energy: -63.688
flat angles C4'-P-C4' energy: -67.069
flat angles P-C4'-P energy: -49.162
tors. eta vs tors. theta energy: -88.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.315 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -995.245004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.245004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.245004 (E_RNA)
where:
Base-Base interactions energy: -661.539
where: short stacking energy: -275.402
Base-Backbone interact. energy: -2.570
local terms energy: -331.136703
where:
bonds (distance) C4'-P energy: -64.945
bonds (distance) P-C4' energy: -67.376
flat angles C4'-P-C4' energy: -65.479
flat angles P-C4'-P energy: -50.911
tors. eta vs tors. theta energy: -82.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -947.947746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.947746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.947746 (E_RNA)
where:
Base-Base interactions energy: -639.334
where: short stacking energy: -273.573
Base-Backbone interact. energy: -1.334
local terms energy: -307.279738
where:
bonds (distance) C4'-P energy: -58.912
bonds (distance) P-C4' energy: -64.147
flat angles C4'-P-C4' energy: -71.566
flat angles P-C4'-P energy: -32.993
tors. eta vs tors. theta energy: -79.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -898.049074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.049074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.049074 (E_RNA)
where:
Base-Base interactions energy: -595.450
where: short stacking energy: -241.546
Base-Backbone interact. energy: -2.061
local terms energy: -300.538098
where:
bonds (distance) C4'-P energy: -66.676
bonds (distance) P-C4' energy: -60.438
flat angles C4'-P-C4' energy: -67.671
flat angles P-C4'-P energy: -40.224
tors. eta vs tors. theta energy: -65.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -811.642715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.642715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.642715 (E_RNA)
where:
Base-Base interactions energy: -520.680
where: short stacking energy: -221.327
Base-Backbone interact. energy: -0.331
local terms energy: -290.632265
where:
bonds (distance) C4'-P energy: -63.439
bonds (distance) P-C4' energy: -65.931
flat angles C4'-P-C4' energy: -56.905
flat angles P-C4'-P energy: -48.373
tors. eta vs tors. theta energy: -55.985
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: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -685.245811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.245811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.245811 (E_RNA)
where:
Base-Base interactions energy: -432.849
where: short stacking energy: -206.370
Base-Backbone interact. energy: 4.892
local terms energy: -257.288577
where:
bonds (distance) C4'-P energy: -68.906
bonds (distance) P-C4' energy: -58.754
flat angles C4'-P-C4' energy: -55.266
flat angles P-C4'-P energy: -31.344
tors. eta vs tors. theta energy: -43.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -559.983891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.983891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.983891 (E_RNA)
where:
Base-Base interactions energy: -315.147
where: short stacking energy: -157.633
Base-Backbone interact. energy: 0.353
local terms energy: -245.190695
where:
bonds (distance) C4'-P energy: -56.190
bonds (distance) P-C4' energy: -59.016
flat angles C4'-P-C4' energy: -65.147
flat angles P-C4'-P energy: -33.458
tors. eta vs tors. theta energy: -31.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -328.049860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.049860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.049860 (E_RNA)
where:
Base-Base interactions energy: -145.893
where: short stacking energy: -101.021
Base-Backbone interact. energy: -0.850
local terms energy: -181.306429
where:
bonds (distance) C4'-P energy: -47.692
bonds (distance) P-C4' energy: -48.733
flat angles C4'-P-C4' energy: -49.647
flat angles P-C4'-P energy: -25.222
tors. eta vs tors. theta energy: -10.012
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: 441
Temperature: 1.350000
Total energy: -393.919123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.919123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.919123 (E_RNA)
where:
Base-Base interactions energy: -203.628
where: short stacking energy: -100.575
Base-Backbone interact. energy: 0.868
local terms energy: -191.158919
where:
bonds (distance) C4'-P energy: -53.279
bonds (distance) P-C4' energy: -52.527
flat angles C4'-P-C4' energy: -47.713
flat angles P-C4'-P energy: -28.121
tors. eta vs tors. theta energy: -9.519
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: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1057.834365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.834365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.834365 (E_RNA)
where:
Base-Base interactions energy: -717.748
where: short stacking energy: -306.620
Base-Backbone interact. energy: -1.423
local terms energy: -338.664066
where:
bonds (distance) C4'-P energy: -64.588
bonds (distance) P-C4' energy: -67.339
flat angles C4'-P-C4' energy: -72.759
flat angles P-C4'-P energy: -47.187
tors. eta vs tors. theta energy: -86.791
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: 2, replica: 8
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1059.919005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.919005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.919005 (E_RNA)
where:
Base-Base interactions energy: -723.022
where: short stacking energy: -327.539
Base-Backbone interact. energy: -1.458
local terms energy: -335.439015
where:
bonds (distance) C4'-P energy: -64.072
bonds (distance) P-C4' energy: -64.858
flat angles C4'-P-C4' energy: -64.697
flat angles P-C4'-P energy: -56.375
tors. eta vs tors. theta energy: -85.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -967.747193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.747193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.747193 (E_RNA)
where:
Base-Base interactions energy: -653.043
where: short stacking energy: -305.009
Base-Backbone interact. energy: -0.596
local terms energy: -314.108093
where:
bonds (distance) C4'-P energy: -55.835
bonds (distance) P-C4' energy: -63.234
flat angles C4'-P-C4' energy: -67.970
flat angles P-C4'-P energy: -34.876
tors. eta vs tors. theta energy: -92.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -964.380648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.380648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.380648 (E_RNA)
where:
Base-Base interactions energy: -653.659
where: short stacking energy: -280.983
Base-Backbone interact. energy: -1.942
local terms energy: -308.779722
where:
bonds (distance) C4'-P energy: -51.178
bonds (distance) P-C4' energy: -59.281
flat angles C4'-P-C4' energy: -71.122
flat angles P-C4'-P energy: -41.497
tors. eta vs tors. theta energy: -85.701
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: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -827.622314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.622314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.622314 (E_RNA)
where:
Base-Base interactions energy: -534.291
where: short stacking energy: -233.263
Base-Backbone interact. energy: -1.587
local terms energy: -291.744387
where:
bonds (distance) C4'-P energy: -50.349
bonds (distance) P-C4' energy: -67.397
flat angles C4'-P-C4' energy: -72.805
flat angles P-C4'-P energy: -34.851
tors. eta vs tors. theta energy: -66.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -775.687401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.687401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.687401 (E_RNA)
where:
Base-Base interactions energy: -525.176
where: short stacking energy: -224.574
Base-Backbone interact. energy: -0.108
local terms energy: -250.403584
where:
bonds (distance) C4'-P energy: -51.530
bonds (distance) P-C4' energy: -61.867
flat angles C4'-P-C4' energy: -58.742
flat angles P-C4'-P energy: -37.594
tors. eta vs tors. theta energy: -40.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -664.988339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.988339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.988339 (E_RNA)
where:
Base-Base interactions energy: -410.997
where: short stacking energy: -174.491
Base-Backbone interact. energy: 2.118
local terms energy: -256.108628
where:
bonds (distance) C4'-P energy: -53.921
bonds (distance) P-C4' energy: -67.446
flat angles C4'-P-C4' energy: -61.040
flat angles P-C4'-P energy: -36.254
tors. eta vs tors. theta energy: -37.448
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: 442
Temperature: 1.250000
Total energy: -565.945294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.945294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.945294 (E_RNA)
where:
Base-Base interactions energy: -346.293
where: short stacking energy: -172.239
Base-Backbone interact. energy: 3.653
local terms energy: -223.305913
where:
bonds (distance) C4'-P energy: -49.881
bonds (distance) P-C4' energy: -64.655
flat angles C4'-P-C4' energy: -42.946
flat angles P-C4'-P energy: -32.495
tors. eta vs tors. theta energy: -33.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -410.530854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.530854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.530854 (E_RNA)
where:
Base-Base interactions energy: -184.421
where: short stacking energy: -101.062
Base-Backbone interact. energy: -0.737
local terms energy: -225.373359
where:
bonds (distance) C4'-P energy: -56.183
bonds (distance) P-C4' energy: -53.726
flat angles C4'-P-C4' energy: -53.785
flat angles P-C4'-P energy: -43.265
tors. eta vs tors. theta energy: -18.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -337.689833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.689833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.689833 (E_RNA)
where:
Base-Base interactions energy: -151.273
where: short stacking energy: -102.960
Base-Backbone interact. energy: 0.366
local terms energy: -186.782446
where:
bonds (distance) C4'-P energy: -59.467
bonds (distance) P-C4' energy: -52.692
flat angles C4'-P-C4' energy: -42.282
flat angles P-C4'-P energy: -29.944
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1063.597241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.597241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.597241 (E_RNA)
where:
Base-Base interactions energy: -738.981
where: short stacking energy: -305.153
Base-Backbone interact. energy: 0.190
local terms energy: -324.805930
where:
bonds (distance) C4'-P energy: -51.620
bonds (distance) P-C4' energy: -59.556
flat angles C4'-P-C4' energy: -82.330
flat angles P-C4'-P energy: -43.605
tors. eta vs tors. theta energy: -87.695
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: 2, replica: 8
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1016.719913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.719913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.719913 (E_RNA)
where:
Base-Base interactions energy: -714.511
where: short stacking energy: -312.955
Base-Backbone interact. energy: -4.013
local terms energy: -298.196295
where:
bonds (distance) C4'-P energy: -49.852
bonds (distance) P-C4' energy: -56.681
flat angles C4'-P-C4' energy: -69.145
flat angles P-C4'-P energy: -39.114
tors. eta vs tors. theta energy: -83.404
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: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -957.407609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.407609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.407609 (E_RNA)
where:
Base-Base interactions energy: -628.528
where: short stacking energy: -296.214
Base-Backbone interact. energy: -0.764
local terms energy: -328.114716
where:
bonds (distance) C4'-P energy: -63.374
bonds (distance) P-C4' energy: -68.297
flat angles C4'-P-C4' energy: -66.999
flat angles P-C4'-P energy: -44.173
tors. eta vs tors. theta energy: -85.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -979.953207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.953207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.953207 (E_RNA)
where:
Base-Base interactions energy: -666.111
where: short stacking energy: -274.070
Base-Backbone interact. energy: -2.040
local terms energy: -311.802255
where:
bonds (distance) C4'-P energy: -63.701
bonds (distance) P-C4' energy: -72.286
flat angles C4'-P-C4' energy: -61.241
flat angles P-C4'-P energy: -41.229
tors. eta vs tors. theta energy: -73.345
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: 10
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -869.763803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.763803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.763803 (E_RNA)
where:
Base-Base interactions energy: -561.365
where: short stacking energy: -240.514
Base-Backbone interact. energy: -1.494
local terms energy: -306.905368
where:
bonds (distance) C4'-P energy: -68.957
bonds (distance) P-C4' energy: -66.604
flat angles C4'-P-C4' energy: -67.563
flat angles P-C4'-P energy: -41.796
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: 6, replica: 6
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -792.058535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.058535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.058535 (E_RNA)
where:
Base-Base interactions energy: -516.325
where: short stacking energy: -218.901
Base-Backbone interact. energy: 1.282
local terms energy: -277.015362
where:
bonds (distance) C4'-P energy: -56.512
bonds (distance) P-C4' energy: -67.965
flat angles C4'-P-C4' energy: -62.224
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -55.988
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: 7, replica: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -665.899403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.899403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.899403 (E_RNA)
where:
Base-Base interactions energy: -439.761
where: short stacking energy: -194.297
Base-Backbone interact. energy: -0.255
local terms energy: -225.883233
where:
bonds (distance) C4'-P energy: -51.009
bonds (distance) P-C4' energy: -43.067
flat angles C4'-P-C4' energy: -58.877
flat angles P-C4'-P energy: -31.623
tors. eta vs tors. theta energy: -41.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -528.443834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.443834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.443834 (E_RNA)
where:
Base-Base interactions energy: -296.916
where: short stacking energy: -139.730
Base-Backbone interact. energy: 2.823
local terms energy: -234.350876
where:
bonds (distance) C4'-P energy: -53.222
bonds (distance) P-C4' energy: -65.750
flat angles C4'-P-C4' energy: -55.028
flat angles P-C4'-P energy: -35.600
tors. eta vs tors. theta energy: -24.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -439.098566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.098566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.098566 (E_RNA)
where:
Base-Base interactions energy: -232.324
where: short stacking energy: -107.224
Base-Backbone interact. energy: -0.631
local terms energy: -206.144368
where:
bonds (distance) C4'-P energy: -65.674
bonds (distance) P-C4' energy: -56.036
flat angles C4'-P-C4' energy: -52.197
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -9.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -362.696468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.696468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.696468 (E_RNA)
where:
Base-Base interactions energy: -181.264
where: short stacking energy: -93.775
Base-Backbone interact. energy: -2.307
local terms energy: -179.125434
where:
bonds (distance) C4'-P energy: -50.211
bonds (distance) P-C4' energy: -53.143
flat angles C4'-P-C4' energy: -36.761
flat angles P-C4'-P energy: -38.618
tors. eta vs tors. theta energy: -0.393
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: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1059.796818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.796818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.796818 (E_RNA)
where:
Base-Base interactions energy: -734.160
where: short stacking energy: -311.955
Base-Backbone interact. energy: -2.011
local terms energy: -323.626129
where:
bonds (distance) C4'-P energy: -59.543
bonds (distance) P-C4' energy: -59.927
flat angles C4'-P-C4' energy: -67.403
flat angles P-C4'-P energy: -47.866
tors. eta vs tors. theta energy: -88.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1082.525002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.525002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.525002 (E_RNA)
where:
Base-Base interactions energy: -741.328
where: short stacking energy: -304.996
Base-Backbone interact. energy: -4.508
local terms energy: -336.689733
where:
bonds (distance) C4'-P energy: -60.634
bonds (distance) P-C4' energy: -63.820
flat angles C4'-P-C4' energy: -75.436
flat angles P-C4'-P energy: -52.351
tors. eta vs tors. theta energy: -84.449
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: 3, replica: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -971.726457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.726457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.726457 (E_RNA)
where:
Base-Base interactions energy: -644.749
where: short stacking energy: -273.417
Base-Backbone interact. energy: -1.012
local terms energy: -325.964831
where:
bonds (distance) C4'-P energy: -60.299
bonds (distance) P-C4' energy: -67.575
flat angles C4'-P-C4' energy: -69.545
flat angles P-C4'-P energy: -49.384
tors. eta vs tors. theta energy: -79.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -965.553938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.553938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.553938 (E_RNA)
where:
Base-Base interactions energy: -643.736
where: short stacking energy: -279.940
Base-Backbone interact. energy: -3.505
local terms energy: -318.312349
where:
bonds (distance) C4'-P energy: -68.443
bonds (distance) P-C4' energy: -63.087
flat angles C4'-P-C4' energy: -68.923
flat angles P-C4'-P energy: -43.851
tors. eta vs tors. theta energy: -74.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -861.321820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.321820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.321820 (E_RNA)
where:
Base-Base interactions energy: -569.700
where: short stacking energy: -237.464
Base-Backbone interact. energy: 0.647
local terms energy: -292.268836
where:
bonds (distance) C4'-P energy: -54.341
bonds (distance) P-C4' energy: -57.313
flat angles C4'-P-C4' energy: -69.410
flat angles P-C4'-P energy: -41.759
tors. eta vs tors. theta energy: -69.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -752.295194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.295194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.295194 (E_RNA)
where:
Base-Base interactions energy: -488.750
where: short stacking energy: -231.119
Base-Backbone interact. energy: -0.856
local terms energy: -262.689351
where:
bonds (distance) C4'-P energy: -47.428
bonds (distance) P-C4' energy: -64.194
flat angles C4'-P-C4' energy: -63.546
flat angles P-C4'-P energy: -33.068
tors. eta vs tors. theta energy: -54.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -678.554562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.554562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.554562 (E_RNA)
where:
Base-Base interactions energy: -457.762
where: short stacking energy: -204.069
Base-Backbone interact. energy: 0.371
local terms energy: -221.163191
where:
bonds (distance) C4'-P energy: -41.553
bonds (distance) P-C4' energy: -56.023
flat angles C4'-P-C4' energy: -50.035
flat angles P-C4'-P energy: -33.489
tors. eta vs tors. theta energy: -40.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -523.192493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.192493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.192493 (E_RNA)
where:
Base-Base interactions energy: -294.454
where: short stacking energy: -147.298
Base-Backbone interact. energy: 0.024
local terms energy: -228.763087
where:
bonds (distance) C4'-P energy: -51.476
bonds (distance) P-C4' energy: -67.421
flat angles C4'-P-C4' energy: -51.089
flat angles P-C4'-P energy: -36.451
tors. eta vs tors. theta energy: -22.326
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: 9, replica: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -407.790988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.790988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.790988 (E_RNA)
where:
Base-Base interactions energy: -234.153
where: short stacking energy: -125.790
Base-Backbone interact. energy: 1.647
local terms energy: -175.285789
where:
bonds (distance) C4'-P energy: -51.624
bonds (distance) P-C4' energy: -54.314
flat angles C4'-P-C4' energy: -34.535
flat angles P-C4'-P energy: -20.823
tors. eta vs tors. theta energy: -13.990
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: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -330.717000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.717000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.717000 (E_RNA)
where:
Base-Base interactions energy: -162.277
where: short stacking energy: -86.117
Base-Backbone interact. energy: 0.393
local terms energy: -168.833049
where:
bonds (distance) C4'-P energy: -50.779
bonds (distance) P-C4' energy: -60.390
flat angles C4'-P-C4' energy: -48.671
flat angles P-C4'-P energy: -24.548
tors. eta vs tors. theta energy: 15.554
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: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1046.479688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.479688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.479688 (E_RNA)
where:
Base-Base interactions energy: -710.239
where: short stacking energy: -298.889
Base-Backbone interact. energy: -4.235
local terms energy: -332.005699
where:
bonds (distance) C4'-P energy: -66.498
bonds (distance) P-C4' energy: -71.400
flat angles C4'-P-C4' energy: -73.411
flat angles P-C4'-P energy: -35.798
tors. eta vs tors. theta energy: -84.899
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: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1059.643436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.643436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.643436 (E_RNA)
where:
Base-Base interactions energy: -732.017
where: short stacking energy: -319.694
Base-Backbone interact. energy: -2.823
local terms energy: -324.803832
where:
bonds (distance) C4'-P energy: -67.932
bonds (distance) P-C4' energy: -62.574
flat angles C4'-P-C4' energy: -69.950
flat angles P-C4'-P energy: -41.360
tors. eta vs tors. theta energy: -82.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1008.156941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.156941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.156941 (E_RNA)
where:
Base-Base interactions energy: -695.791
where: short stacking energy: -300.596
Base-Backbone interact. energy: 3.579
local terms energy: -315.944484
where:
bonds (distance) C4'-P energy: -68.236
bonds (distance) P-C4' energy: -55.347
flat angles C4'-P-C4' energy: -64.821
flat angles P-C4'-P energy: -46.538
tors. eta vs tors. theta energy: -81.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -944.187399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.187399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.187399 (E_RNA)
where:
Base-Base interactions energy: -624.251
where: short stacking energy: -268.669
Base-Backbone interact. energy: -4.057
local terms energy: -315.879561
where:
bonds (distance) C4'-P energy: -60.959
bonds (distance) P-C4' energy: -70.039
flat angles C4'-P-C4' energy: -65.908
flat angles P-C4'-P energy: -47.684
tors. eta vs tors. theta energy: -71.289
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: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -849.844147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.844147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.844147 (E_RNA)
where:
Base-Base interactions energy: -547.513
where: short stacking energy: -242.693
Base-Backbone interact. energy: -1.947
local terms energy: -300.384607
where:
bonds (distance) C4'-P energy: -50.252
bonds (distance) P-C4' energy: -63.449
flat angles C4'-P-C4' energy: -65.016
flat angles P-C4'-P energy: -47.085
tors. eta vs tors. theta energy: -74.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -777.385241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.385241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.385241 (E_RNA)
where:
Base-Base interactions energy: -509.867
where: short stacking energy: -216.272
Base-Backbone interact. energy: -2.085
local terms energy: -265.433213
where:
bonds (distance) C4'-P energy: -43.416
bonds (distance) P-C4' energy: -70.834
flat angles C4'-P-C4' energy: -62.884
flat angles P-C4'-P energy: -35.054
tors. eta vs tors. theta energy: -53.244
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: 5
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -687.255017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.255017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.255017 (E_RNA)
where:
Base-Base interactions energy: -455.350
where: short stacking energy: -194.548
Base-Backbone interact. energy: -2.976
local terms energy: -228.928792
where:
bonds (distance) C4'-P energy: -53.148
bonds (distance) P-C4' energy: -53.987
flat angles C4'-P-C4' energy: -51.190
flat angles P-C4'-P energy: -23.363
tors. eta vs tors. theta energy: -47.241
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: 1
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -531.253492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.253492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.253492 (E_RNA)
where:
Base-Base interactions energy: -309.386
where: short stacking energy: -148.087
Base-Backbone interact. energy: -1.084
local terms energy: -220.784336
where:
bonds (distance) C4'-P energy: -58.218
bonds (distance) P-C4' energy: -53.596
flat angles C4'-P-C4' energy: -50.579
flat angles P-C4'-P energy: -30.372
tors. eta vs tors. theta energy: -28.020
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: 9, replica: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -339.612663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.612663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.612663 (E_RNA)
where:
Base-Base interactions energy: -131.030
where: short stacking energy: -85.159
Base-Backbone interact. energy: -2.074
local terms energy: -206.508749
where:
bonds (distance) C4'-P energy: -55.718
bonds (distance) P-C4' energy: -61.596
flat angles C4'-P-C4' energy: -65.392
flat angles P-C4'-P energy: -27.913
tors. eta vs tors. theta energy: 4.110
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: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -351.643679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.643679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.643679 (E_RNA)
where:
Base-Base interactions energy: -157.661
where: short stacking energy: -101.980
Base-Backbone interact. energy: -1.659
local terms energy: -194.726268
where:
bonds (distance) C4'-P energy: -63.973
bonds (distance) P-C4' energy: -59.344
flat angles C4'-P-C4' energy: -46.794
flat angles P-C4'-P energy: -25.267
tors. eta vs tors. theta energy: 0.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.402 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1067.419571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.419571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.419571 (E_RNA)
where:
Base-Base interactions energy: -727.470
where: short stacking energy: -311.443
Base-Backbone interact. energy: 0.084
local terms energy: -340.033235
where:
bonds (distance) C4'-P energy: -69.327
bonds (distance) P-C4' energy: -53.637
flat angles C4'-P-C4' energy: -71.212
flat angles P-C4'-P energy: -49.065
tors. eta vs tors. theta energy: -96.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1051.043141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.043141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.043141 (E_RNA)
where:
Base-Base interactions energy: -717.132
where: short stacking energy: -312.683
Base-Backbone interact. energy: -0.664
local terms energy: -333.252199
where:
bonds (distance) C4'-P energy: -55.712
bonds (distance) P-C4' energy: -75.348
flat angles C4'-P-C4' energy: -66.745
flat angles P-C4'-P energy: -51.540
tors. eta vs tors. theta energy: -83.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.005 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -970.895602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.895602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.895602 (E_RNA)
where:
Base-Base interactions energy: -644.646
where: short stacking energy: -281.082
Base-Backbone interact. energy: -2.649
local terms energy: -323.976324
where:
bonds (distance) C4'-P energy: -65.641
bonds (distance) P-C4' energy: -58.130
flat angles C4'-P-C4' energy: -67.722
flat angles P-C4'-P energy: -49.544
tors. eta vs tors. theta energy: -82.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.376 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -926.249958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.249958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.249958 (E_RNA)
where:
Base-Base interactions energy: -615.295
where: short stacking energy: -253.517
Base-Backbone interact. energy: -0.667
local terms energy: -310.287722
where:
bonds (distance) C4'-P energy: -60.719
bonds (distance) P-C4' energy: -69.755
flat angles C4'-P-C4' energy: -69.998
flat angles P-C4'-P energy: -44.660
tors. eta vs tors. theta energy: -65.156
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: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -843.591700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.591700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.591700 (E_RNA)
where:
Base-Base interactions energy: -564.509
where: short stacking energy: -255.608
Base-Backbone interact. energy: -0.885
local terms energy: -278.198210
where:
bonds (distance) C4'-P energy: -58.234
bonds (distance) P-C4' energy: -52.568
flat angles C4'-P-C4' energy: -57.284
flat angles P-C4'-P energy: -36.783
tors. eta vs tors. theta energy: -73.329
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: 6
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -787.094776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.094776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.094776 (E_RNA)
where:
Base-Base interactions energy: -517.296
where: short stacking energy: -235.220
Base-Backbone interact. energy: -2.712
local terms energy: -267.087306
where:
bonds (distance) C4'-P energy: -55.279
bonds (distance) P-C4' energy: -55.287
flat angles C4'-P-C4' energy: -63.212
flat angles P-C4'-P energy: -42.868
tors. eta vs tors. theta energy: -50.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -688.224405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.224405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.224405 (E_RNA)
where:
Base-Base interactions energy: -433.711
where: short stacking energy: -170.531
Base-Backbone interact. energy: 1.328
local terms energy: -255.841394
where:
bonds (distance) C4'-P energy: -57.200
bonds (distance) P-C4' energy: -64.566
flat angles C4'-P-C4' energy: -54.159
flat angles P-C4'-P energy: -42.349
tors. eta vs tors. theta energy: -37.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -479.193876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.193876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.193876 (E_RNA)
where:
Base-Base interactions energy: -275.127
where: short stacking energy: -140.963
Base-Backbone interact. energy: 0.323
local terms energy: -204.389925
where:
bonds (distance) C4'-P energy: -42.967
bonds (distance) P-C4' energy: -57.769
flat angles C4'-P-C4' energy: -56.885
flat angles P-C4'-P energy: -34.435
tors. eta vs tors. theta energy: -12.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -346.063585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.063585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.063585 (E_RNA)
where:
Base-Base interactions energy: -176.392
where: short stacking energy: -108.506
Base-Backbone interact. energy: 2.586
local terms energy: -172.258058
where:
bonds (distance) C4'-P energy: -50.668
bonds (distance) P-C4' energy: -57.013
flat angles C4'-P-C4' energy: -38.646
flat angles P-C4'-P energy: -20.272
tors. eta vs tors. theta energy: -5.659
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: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -326.888960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.888960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.888960 (E_RNA)
where:
Base-Base interactions energy: -146.570
where: short stacking energy: -78.113
Base-Backbone interact. energy: -1.216
local terms energy: -179.102562
where:
bonds (distance) C4'-P energy: -50.775
bonds (distance) P-C4' energy: -45.325
flat angles C4'-P-C4' energy: -56.124
flat angles P-C4'-P energy: -28.659
tors. eta vs tors. theta energy: 1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1056.214287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.214287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.214287 (E_RNA)
where:
Base-Base interactions energy: -708.768
where: short stacking energy: -306.911
Base-Backbone interact. energy: -3.332
local terms energy: -344.114632
where:
bonds (distance) C4'-P energy: -61.274
bonds (distance) P-C4' energy: -67.445
flat angles C4'-P-C4' energy: -72.841
flat angles P-C4'-P energy: -56.154
tors. eta vs tors. theta energy: -86.401
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: 8
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1050.342927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.342927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.342927 (E_RNA)
where:
Base-Base interactions energy: -714.137
where: short stacking energy: -312.839
Base-Backbone interact. energy: -2.812
local terms energy: -333.393431
where:
bonds (distance) C4'-P energy: -62.977
bonds (distance) P-C4' energy: -69.533
flat angles C4'-P-C4' energy: -63.919
flat angles P-C4'-P energy: -47.410
tors. eta vs tors. theta energy: -89.554
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: 9
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -975.948337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.948337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.948337 (E_RNA)
where:
Base-Base interactions energy: -648.929
where: short stacking energy: -293.257
Base-Backbone interact. energy: -2.992
local terms energy: -324.027179
where:
bonds (distance) C4'-P energy: -63.813
bonds (distance) P-C4' energy: -58.964
flat angles C4'-P-C4' energy: -73.490
flat angles P-C4'-P energy: -48.099
tors. eta vs tors. theta energy: -79.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -941.336077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.336077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.336077 (E_RNA)
where:
Base-Base interactions energy: -636.042
where: short stacking energy: -265.533
Base-Backbone interact. energy: 0.216
local terms energy: -305.510117
where:
bonds (distance) C4'-P energy: -53.049
bonds (distance) P-C4' energy: -69.851
flat angles C4'-P-C4' energy: -62.035
flat angles P-C4'-P energy: -50.892
tors. eta vs tors. theta energy: -69.683
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: 447
Temperature: 1.100000
Total energy: -810.195438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.195438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.195438 (E_RNA)
where:
Base-Base interactions energy: -553.917
where: short stacking energy: -240.226
Base-Backbone interact. energy: 0.801
local terms energy: -257.079384
where:
bonds (distance) C4'-P energy: -35.018
bonds (distance) P-C4' energy: -54.886
flat angles C4'-P-C4' energy: -59.800
flat angles P-C4'-P energy: -40.914
tors. eta vs tors. theta energy: -66.461
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: 6, replica: 6
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -795.600500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.600500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.600500 (E_RNA)
where:
Base-Base interactions energy: -510.411
where: short stacking energy: -237.037
Base-Backbone interact. energy: 0.941
local terms energy: -286.131237
where:
bonds (distance) C4'-P energy: -60.898
bonds (distance) P-C4' energy: -61.541
flat angles C4'-P-C4' energy: -63.214
flat angles P-C4'-P energy: -43.134
tors. eta vs tors. theta energy: -57.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -686.829589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.829589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.829589 (E_RNA)
where:
Base-Base interactions energy: -462.125
where: short stacking energy: -180.724
Base-Backbone interact. energy: 0.385
local terms energy: -225.089320
where:
bonds (distance) C4'-P energy: -33.051
bonds (distance) P-C4' energy: -59.756
flat angles C4'-P-C4' energy: -55.231
flat angles P-C4'-P energy: -37.608
tors. eta vs tors. theta energy: -39.444
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: 8, replica: 1
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -510.691055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.691055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.691055 (E_RNA)
where:
Base-Base interactions energy: -300.872
where: short stacking energy: -145.899
Base-Backbone interact. energy: 5.231
local terms energy: -215.050021
where:
bonds (distance) C4'-P energy: -54.870
bonds (distance) P-C4' energy: -57.960
flat angles C4'-P-C4' energy: -52.357
flat angles P-C4'-P energy: -36.273
tors. eta vs tors. theta energy: -13.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -351.050155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.050155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.050155 (E_RNA)
where:
Base-Base interactions energy: -161.351
where: short stacking energy: -98.467
Base-Backbone interact. energy: -1.619
local terms energy: -188.534382
where:
bonds (distance) C4'-P energy: -58.876
bonds (distance) P-C4' energy: -51.115
flat angles C4'-P-C4' energy: -52.997
flat angles P-C4'-P energy: -26.044
tors. eta vs tors. theta energy: 0.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.454 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -284.044682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.044682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.044682 (E_RNA)
where:
Base-Base interactions energy: -109.770
where: short stacking energy: -89.320
Base-Backbone interact. energy: 0.517
local terms energy: -174.791597
where:
bonds (distance) C4'-P energy: -51.021
bonds (distance) P-C4' energy: -50.363
flat angles C4'-P-C4' energy: -46.463
flat angles P-C4'-P energy: -36.851
tors. eta vs tors. theta energy: 9.906
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: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1066.598366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.598366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.598366 (E_RNA)
where:
Base-Base interactions energy: -736.410
where: short stacking energy: -312.546
Base-Backbone interact. energy: -0.993
local terms energy: -329.195235
where:
bonds (distance) C4'-P energy: -58.498
bonds (distance) P-C4' energy: -64.645
flat angles C4'-P-C4' energy: -77.312
flat angles P-C4'-P energy: -42.014
tors. eta vs tors. theta energy: -86.727
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: 2, replica: 8
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1054.370301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.370301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.370301 (E_RNA)
where:
Base-Base interactions energy: -723.356
where: short stacking energy: -298.122
Base-Backbone interact. energy: -1.821
local terms energy: -329.192832
where:
bonds (distance) C4'-P energy: -69.144
bonds (distance) P-C4' energy: -63.841
flat angles C4'-P-C4' energy: -66.738
flat angles P-C4'-P energy: -47.422
tors. eta vs tors. theta energy: -82.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -971.565696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.565696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.565696 (E_RNA)
where:
Base-Base interactions energy: -664.505
where: short stacking energy: -288.006
Base-Backbone interact. energy: 0.291
local terms energy: -307.352211
where:
bonds (distance) C4'-P energy: -69.306
bonds (distance) P-C4' energy: -52.611
flat angles C4'-P-C4' energy: -70.420
flat angles P-C4'-P energy: -41.776
tors. eta vs tors. theta energy: -73.239
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: 448
Temperature: 1.050000
Total energy: -955.572320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.572320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.572320 (E_RNA)
where:
Base-Base interactions energy: -641.548
where: short stacking energy: -284.747
Base-Backbone interact. energy: -3.343
local terms energy: -310.682020
where:
bonds (distance) C4'-P energy: -58.634
bonds (distance) P-C4' energy: -60.041
flat angles C4'-P-C4' energy: -67.542
flat angles P-C4'-P energy: -43.019
tors. eta vs tors. theta energy: -81.446
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: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -833.807173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.807173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.807173 (E_RNA)
where:
Base-Base interactions energy: -551.459
where: short stacking energy: -247.446
Base-Backbone interact. energy: -0.618
local terms energy: -281.730194
where:
bonds (distance) C4'-P energy: -57.869
bonds (distance) P-C4' energy: -49.463
flat angles C4'-P-C4' energy: -66.883
flat angles P-C4'-P energy: -37.970
tors. eta vs tors. theta energy: -69.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -782.993253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.993253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.993253 (E_RNA)
where:
Base-Base interactions energy: -525.908
where: short stacking energy: -233.631
Base-Backbone interact. energy: 2.804
local terms energy: -259.888771
where:
bonds (distance) C4'-P energy: -54.737
bonds (distance) P-C4' energy: -54.297
flat angles C4'-P-C4' energy: -50.323
flat angles P-C4'-P energy: -43.550
tors. eta vs tors. theta energy: -56.982
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: 7, replica: 5
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -687.033274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.033274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.033274 (E_RNA)
where:
Base-Base interactions energy: -458.713
where: short stacking energy: -193.574
Base-Backbone interact. energy: 0.034
local terms energy: -228.354023
where:
bonds (distance) C4'-P energy: -58.263
bonds (distance) P-C4' energy: -55.942
flat angles C4'-P-C4' energy: -46.683
flat angles P-C4'-P energy: -34.435
tors. eta vs tors. theta energy: -33.030
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: 448
Temperature: 1.250000
Total energy: -484.400680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.400680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.400680 (E_RNA)
where:
Base-Base interactions energy: -258.657
where: short stacking energy: -118.909
Base-Backbone interact. energy: -0.819
local terms energy: -224.924271
where:
bonds (distance) C4'-P energy: -53.814
bonds (distance) P-C4' energy: -55.401
flat angles C4'-P-C4' energy: -65.203
flat angles P-C4'-P energy: -38.642
tors. eta vs tors. theta energy: -11.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -353.286625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.286625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.286625 (E_RNA)
where:
Base-Base interactions energy: -154.563
where: short stacking energy: -96.255
Base-Backbone interact. energy: 0.146
local terms energy: -198.869929
where:
bonds (distance) C4'-P energy: -57.352
bonds (distance) P-C4' energy: -49.798
flat angles C4'-P-C4' energy: -59.741
flat angles P-C4'-P energy: -28.221
tors. eta vs tors. theta energy: -3.758
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: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -353.125341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.125341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.125341 (E_RNA)
where:
Base-Base interactions energy: -173.911
where: short stacking energy: -102.780
Base-Backbone interact. energy: -1.114
local terms energy: -178.100036
where:
bonds (distance) C4'-P energy: -39.171
bonds (distance) P-C4' energy: -59.643
flat angles C4'-P-C4' energy: -55.959
flat angles P-C4'-P energy: -20.297
tors. eta vs tors. theta energy: -3.030
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: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1066.351486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.351486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.351486 (E_RNA)
where:
Base-Base interactions energy: -717.238
where: short stacking energy: -321.705
Base-Backbone interact. energy: -1.737
local terms energy: -347.376365
where:
bonds (distance) C4'-P energy: -66.335
bonds (distance) P-C4' energy: -66.459
flat angles C4'-P-C4' energy: -71.212
flat angles P-C4'-P energy: -54.166
tors. eta vs tors. theta energy: -89.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1043.128130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.128130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.128130 (E_RNA)
where:
Base-Base interactions energy: -722.825
where: short stacking energy: -301.627
Base-Backbone interact. energy: -2.250
local terms energy: -318.980774
where:
bonds (distance) C4'-P energy: -63.317
bonds (distance) P-C4' energy: -59.475
flat angles C4'-P-C4' energy: -72.126
flat angles P-C4'-P energy: -43.094
tors. eta vs tors. theta energy: -80.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.928 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -983.947851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.947851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.947851 (E_RNA)
where:
Base-Base interactions energy: -660.042
where: short stacking energy: -283.616
Base-Backbone interact. energy: -0.433
local terms energy: -323.472548
where:
bonds (distance) C4'-P energy: -59.476
bonds (distance) P-C4' energy: -71.401
flat angles C4'-P-C4' energy: -65.572
flat angles P-C4'-P energy: -46.458
tors. eta vs tors. theta energy: -80.567
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: 4, replica: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -946.453293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.453293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.453293 (E_RNA)
where:
Base-Base interactions energy: -642.134
where: short stacking energy: -284.451
Base-Backbone interact. energy: 0.621
local terms energy: -304.954651
where:
bonds (distance) C4'-P energy: -60.670
bonds (distance) P-C4' energy: -52.099
flat angles C4'-P-C4' energy: -62.807
flat angles P-C4'-P energy: -43.669
tors. eta vs tors. theta energy: -85.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.014 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -890.081312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.081312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.081312 (E_RNA)
where:
Base-Base interactions energy: -593.566
where: short stacking energy: -243.829
Base-Backbone interact. energy: -0.567
local terms energy: -295.948140
where:
bonds (distance) C4'-P energy: -48.444
bonds (distance) P-C4' energy: -62.636
flat angles C4'-P-C4' energy: -57.662
flat angles P-C4'-P energy: -53.881
tors. eta vs tors. theta energy: -73.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -783.794218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.794218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.794218 (E_RNA)
where:
Base-Base interactions energy: -507.898
where: short stacking energy: -205.457
Base-Backbone interact. energy: -1.629
local terms energy: -274.266903
where:
bonds (distance) C4'-P energy: -49.101
bonds (distance) P-C4' energy: -68.408
flat angles C4'-P-C4' energy: -60.484
flat angles P-C4'-P energy: -50.819
tors. eta vs tors. theta energy: -45.456
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: 7, replica: 5
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -745.016698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.016698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.016698 (E_RNA)
where:
Base-Base interactions energy: -507.643
where: short stacking energy: -231.706
Base-Backbone interact. energy: -1.297
local terms energy: -236.076354
where:
bonds (distance) C4'-P energy: -54.681
bonds (distance) P-C4' energy: -65.063
flat angles C4'-P-C4' energy: -43.843
flat angles P-C4'-P energy: -23.282
tors. eta vs tors. theta energy: -49.207
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: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -485.808727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.808727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.808727 (E_RNA)
where:
Base-Base interactions energy: -275.205
where: short stacking energy: -132.687
Base-Backbone interact. energy: -0.524
local terms energy: -210.080144
where:
bonds (distance) C4'-P energy: -50.521
bonds (distance) P-C4' energy: -57.083
flat angles C4'-P-C4' energy: -51.345
flat angles P-C4'-P energy: -35.301
tors. eta vs tors. theta energy: -15.829
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: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -366.412415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.412415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.412415 (E_RNA)
where:
Base-Base interactions energy: -180.561
where: short stacking energy: -96.859
Base-Backbone interact. energy: -0.523
local terms energy: -185.328904
where:
bonds (distance) C4'-P energy: -54.964
bonds (distance) P-C4' energy: -56.418
flat angles C4'-P-C4' energy: -51.863
flat angles P-C4'-P energy: -20.098
tors. eta vs tors. theta energy: -1.986
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: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -340.700358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.700358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.700358 (E_RNA)
where:
Base-Base interactions energy: -175.036
where: short stacking energy: -111.961
Base-Backbone interact. energy: -0.706
local terms energy: -164.958901
where:
bonds (distance) C4'-P energy: -47.574
bonds (distance) P-C4' energy: -50.210
flat angles C4'-P-C4' energy: -37.510
flat angles P-C4'-P energy: -31.748
tors. eta vs tors. theta energy: 2.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1064.437847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.437847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.437847 (E_RNA)
where:
Base-Base interactions energy: -718.389
where: short stacking energy: -325.874
Base-Backbone interact. energy: -3.204
local terms energy: -342.845046
where:
bonds (distance) C4'-P energy: -65.341
bonds (distance) P-C4' energy: -61.404
flat angles C4'-P-C4' energy: -72.208
flat angles P-C4'-P energy: -54.557
tors. eta vs tors. theta energy: -89.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1017.625886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.625886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.625886 (E_RNA)
where:
Base-Base interactions energy: -682.256
where: short stacking energy: -300.846
Base-Backbone interact. energy: -1.677
local terms energy: -333.693393
where:
bonds (distance) C4'-P energy: -66.420
bonds (distance) P-C4' energy: -60.615
flat angles C4'-P-C4' energy: -75.927
flat angles P-C4'-P energy: -46.701
tors. eta vs tors. theta energy: -84.031
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: 2
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1003.173814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.173814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.173814 (E_RNA)
where:
Base-Base interactions energy: -687.065
where: short stacking energy: -295.898
Base-Backbone interact. energy: -3.108
local terms energy: -313.000670
where:
bonds (distance) C4'-P energy: -47.925
bonds (distance) P-C4' energy: -62.236
flat angles C4'-P-C4' energy: -79.723
flat angles P-C4'-P energy: -49.111
tors. eta vs tors. theta energy: -74.006
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: 4, replica: 9
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -940.397945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.397945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.397945 (E_RNA)
where:
Base-Base interactions energy: -633.537
where: short stacking energy: -281.217
Base-Backbone interact. energy: -1.842
local terms energy: -305.018520
where:
bonds (distance) C4'-P energy: -60.383
bonds (distance) P-C4' energy: -49.237
flat angles C4'-P-C4' energy: -68.599
flat angles P-C4'-P energy: -47.092
tors. eta vs tors. theta energy: -79.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -849.238175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.238175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.238175 (E_RNA)
where:
Base-Base interactions energy: -551.771
where: short stacking energy: -249.929
Base-Backbone interact. energy: -2.186
local terms energy: -295.280821
where:
bonds (distance) C4'-P energy: -64.370
bonds (distance) P-C4' energy: -49.038
flat angles C4'-P-C4' energy: -62.506
flat angles P-C4'-P energy: -54.620
tors. eta vs tors. theta energy: -64.747
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: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -864.416714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.416714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.416714 (E_RNA)
where:
Base-Base interactions energy: -575.555
where: short stacking energy: -249.278
Base-Backbone interact. energy: 0.220
local terms energy: -289.082200
where:
bonds (distance) C4'-P energy: -57.406
bonds (distance) P-C4' energy: -61.597
flat angles C4'-P-C4' energy: -60.870
flat angles P-C4'-P energy: -45.028
tors. eta vs tors. theta energy: -64.181
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: 5
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -744.710025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.710025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.710025 (E_RNA)
where:
Base-Base interactions energy: -477.503
where: short stacking energy: -180.679
Base-Backbone interact. energy: -1.660
local terms energy: -265.546962
where:
bonds (distance) C4'-P energy: -47.290
bonds (distance) P-C4' energy: -62.951
flat angles C4'-P-C4' energy: -65.169
flat angles P-C4'-P energy: -39.741
tors. eta vs tors. theta energy: -50.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -505.196393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.196393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.196393 (E_RNA)
where:
Base-Base interactions energy: -274.701
where: short stacking energy: -150.534
Base-Backbone interact. energy: 1.942
local terms energy: -232.437711
where:
bonds (distance) C4'-P energy: -49.627
bonds (distance) P-C4' energy: -54.015
flat angles C4'-P-C4' energy: -57.402
flat angles P-C4'-P energy: -37.987
tors. eta vs tors. theta energy: -33.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -390.018684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.018684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.018684 (E_RNA)
where:
Base-Base interactions energy: -183.023
where: short stacking energy: -107.477
Base-Backbone interact. energy: -0.456
local terms energy: -206.539135
where:
bonds (distance) C4'-P energy: -58.659
bonds (distance) P-C4' energy: -69.395
flat angles C4'-P-C4' energy: -45.113
flat angles P-C4'-P energy: -35.761
tors. eta vs tors. theta energy: 2.389
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: 450
Temperature: 1.350000
Total energy: -332.767402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.767402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.767402 (E_RNA)
where:
Base-Base interactions energy: -149.788
where: short stacking energy: -95.429
Base-Backbone interact. energy: 0.838
local terms energy: -183.817403
where:
bonds (distance) C4'-P energy: -46.067
bonds (distance) P-C4' energy: -55.003
flat angles C4'-P-C4' energy: -42.080
flat angles P-C4'-P energy: -30.340
tors. eta vs tors. theta energy: -10.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1078.431581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.431581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.431581 (E_RNA)
where:
Base-Base interactions energy: -749.762
where: short stacking energy: -313.353
Base-Backbone interact. energy: -1.221
local terms energy: -327.449158
where:
bonds (distance) C4'-P energy: -50.444
bonds (distance) P-C4' energy: -67.622
flat angles C4'-P-C4' energy: -72.701
flat angles P-C4'-P energy: -48.971
tors. eta vs tors. theta energy: -87.712
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: 2, replica: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1020.481512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.481512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.481512 (E_RNA)
where:
Base-Base interactions energy: -684.277
where: short stacking energy: -280.021
Base-Backbone interact. energy: -2.062
local terms energy: -334.666902
where:
bonds (distance) C4'-P energy: -65.486
bonds (distance) P-C4' energy: -64.652
flat angles C4'-P-C4' energy: -75.609
flat angles P-C4'-P energy: -51.409
tors. eta vs tors. theta energy: -77.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.524 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1008.565948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.565948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.565948 (E_RNA)
where:
Base-Base interactions energy: -710.191
where: short stacking energy: -295.897
Base-Backbone interact. energy: -0.895
local terms energy: -297.479543
where:
bonds (distance) C4'-P energy: -50.524
bonds (distance) P-C4' energy: -67.213
flat angles C4'-P-C4' energy: -61.228
flat angles P-C4'-P energy: -46.266
tors. eta vs tors. theta energy: -72.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -921.400434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.400434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.400434 (E_RNA)
where:
Base-Base interactions energy: -591.053
where: short stacking energy: -267.680
Base-Backbone interact. energy: -1.219
local terms energy: -329.621189
where:
bonds (distance) C4'-P energy: -62.762
bonds (distance) P-C4' energy: -61.610
flat angles C4'-P-C4' energy: -70.140
flat angles P-C4'-P energy: -59.722
tors. eta vs tors. theta energy: -75.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.493 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -899.104149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.104149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.104149 (E_RNA)
where:
Base-Base interactions energy: -611.792
where: short stacking energy: -236.611
Base-Backbone interact. energy: -0.974
local terms energy: -286.338063
where:
bonds (distance) C4'-P energy: -64.800
bonds (distance) P-C4' energy: -57.969
flat angles C4'-P-C4' energy: -63.791
flat angles P-C4'-P energy: -33.296
tors. eta vs tors. theta energy: -66.482
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: 451
Temperature: 1.150000
Total energy: -859.725348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.725348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.725348 (E_RNA)
where:
Base-Base interactions energy: -573.931
where: short stacking energy: -257.700
Base-Backbone interact. energy: -1.813
local terms energy: -283.980619
where:
bonds (distance) C4'-P energy: -48.374
bonds (distance) P-C4' energy: -61.871
flat angles C4'-P-C4' energy: -64.737
flat angles P-C4'-P energy: -34.634
tors. eta vs tors. theta energy: -74.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -771.090611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.090611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.090611 (E_RNA)
where:
Base-Base interactions energy: -516.464
where: short stacking energy: -194.308
Base-Backbone interact. energy: -2.072
local terms energy: -252.555026
where:
bonds (distance) C4'-P energy: -59.603
bonds (distance) P-C4' energy: -54.086
flat angles C4'-P-C4' energy: -51.513
flat angles P-C4'-P energy: -28.499
tors. eta vs tors. theta energy: -58.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -480.309216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.309216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.309216 (E_RNA)
where:
Base-Base interactions energy: -293.164
where: short stacking energy: -147.933
Base-Backbone interact. energy: 3.440
local terms energy: -190.584323
where:
bonds (distance) C4'-P energy: -41.894
bonds (distance) P-C4' energy: -48.907
flat angles C4'-P-C4' energy: -45.082
flat angles P-C4'-P energy: -33.147
tors. eta vs tors. theta energy: -21.555
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: 3
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -349.946995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.946995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.946995 (E_RNA)
where:
Base-Base interactions energy: -158.023
where: short stacking energy: -103.988
Base-Backbone interact. energy: 0.733
local terms energy: -192.657184
where:
bonds (distance) C4'-P energy: -39.082
bonds (distance) P-C4' energy: -54.040
flat angles C4'-P-C4' energy: -49.990
flat angles P-C4'-P energy: -31.905
tors. eta vs tors. theta energy: -17.640
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: 451
Temperature: 1.350000
Total energy: -326.092594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.092594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.092594 (E_RNA)
where:
Base-Base interactions energy: -134.164
where: short stacking energy: -97.170
Base-Backbone interact. energy: -1.046
local terms energy: -190.881680
where:
bonds (distance) C4'-P energy: -62.420
bonds (distance) P-C4' energy: -51.512
flat angles C4'-P-C4' energy: -46.019
flat angles P-C4'-P energy: -27.308
tors. eta vs tors. theta energy: -3.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1053.778323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.778323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.778323 (E_RNA)
where:
Base-Base interactions energy: -712.089
where: short stacking energy: -316.447
Base-Backbone interact. energy: -1.429
local terms energy: -340.260182
where:
bonds (distance) C4'-P energy: -59.550
bonds (distance) P-C4' energy: -65.302
flat angles C4'-P-C4' energy: -76.142
flat angles P-C4'-P energy: -53.177
tors. eta vs tors. theta energy: -86.090
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: 8
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1037.423252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.423252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.423252 (E_RNA)
where:
Base-Base interactions energy: -702.097
where: short stacking energy: -305.997
Base-Backbone interact. energy: -0.134
local terms energy: -336.332827
where:
bonds (distance) C4'-P energy: -58.109
bonds (distance) P-C4' energy: -60.982
flat angles C4'-P-C4' energy: -74.419
flat angles P-C4'-P energy: -51.175
tors. eta vs tors. theta energy: -91.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.140 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -983.030126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.030126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.030126 (E_RNA)
where:
Base-Base interactions energy: -677.668
where: short stacking energy: -288.404
Base-Backbone interact. energy: -5.865
local terms energy: -299.497380
where:
bonds (distance) C4'-P energy: -49.240
bonds (distance) P-C4' energy: -59.454
flat angles C4'-P-C4' energy: -66.099
flat angles P-C4'-P energy: -41.750
tors. eta vs tors. theta energy: -82.955
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: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -923.202239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.202239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.202239 (E_RNA)
where:
Base-Base interactions energy: -620.602
where: short stacking energy: -251.237
Base-Backbone interact. energy: -3.118
local terms energy: -299.482661
where:
bonds (distance) C4'-P energy: -56.487
bonds (distance) P-C4' energy: -55.951
flat angles C4'-P-C4' energy: -73.290
flat angles P-C4'-P energy: -46.466
tors. eta vs tors. theta energy: -67.288
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: 5, replica: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -859.647296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.647296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.647296 (E_RNA)
where:
Base-Base interactions energy: -590.581
where: short stacking energy: -233.621
Base-Backbone interact. energy: -1.393
local terms energy: -267.673012
where:
bonds (distance) C4'-P energy: -52.670
bonds (distance) P-C4' energy: -59.690
flat angles C4'-P-C4' energy: -60.408
flat angles P-C4'-P energy: -40.262
tors. eta vs tors. theta energy: -54.643
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: 452
Temperature: 1.150000
Total energy: -855.864081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.864081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.864081 (E_RNA)
where:
Base-Base interactions energy: -569.811
where: short stacking energy: -235.611
Base-Backbone interact. energy: -1.339
local terms energy: -284.714169
where:
bonds (distance) C4'-P energy: -49.885
bonds (distance) P-C4' energy: -62.024
flat angles C4'-P-C4' energy: -66.097
flat angles P-C4'-P energy: -38.700
tors. eta vs tors. theta energy: -68.009
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: 7, replica: 5
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -748.920596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.920596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.920596 (E_RNA)
where:
Base-Base interactions energy: -512.842
where: short stacking energy: -222.062
Base-Backbone interact. energy: -2.550
local terms energy: -233.527814
where:
bonds (distance) C4'-P energy: -53.346
bonds (distance) P-C4' energy: -52.450
flat angles C4'-P-C4' energy: -55.690
flat angles P-C4'-P energy: -35.018
tors. eta vs tors. theta energy: -37.024
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: 452
Temperature: 1.250000
Total energy: -472.220971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.220971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.220971 (E_RNA)
where:
Base-Base interactions energy: -257.784
where: short stacking energy: -134.548
Base-Backbone interact. energy: -1.336
local terms energy: -213.100935
where:
bonds (distance) C4'-P energy: -53.288
bonds (distance) P-C4' energy: -48.546
flat angles C4'-P-C4' energy: -57.333
flat angles P-C4'-P energy: -38.037
tors. eta vs tors. theta energy: -15.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -345.195676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.195676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.195676 (E_RNA)
where:
Base-Base interactions energy: -153.008
where: short stacking energy: -102.502
Base-Backbone interact. energy: 0.643
local terms energy: -192.830637
where:
bonds (distance) C4'-P energy: -37.767
bonds (distance) P-C4' energy: -59.284
flat angles C4'-P-C4' energy: -64.114
flat angles P-C4'-P energy: -31.771
tors. eta vs tors. theta energy: 0.106
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: 10, replica: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -348.575584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.575584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.575584 (E_RNA)
where:
Base-Base interactions energy: -168.202
where: short stacking energy: -95.018
Base-Backbone interact. energy: 2.385
local terms energy: -182.758986
where:
bonds (distance) C4'-P energy: -51.013
bonds (distance) P-C4' energy: -62.884
flat angles C4'-P-C4' energy: -39.494
flat angles P-C4'-P energy: -27.680
tors. eta vs tors. theta energy: -1.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1082.075027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.075027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.075027 (E_RNA)
where:
Base-Base interactions energy: -723.709
where: short stacking energy: -326.309
Base-Backbone interact. energy: -3.881
local terms energy: -354.485291
where:
bonds (distance) C4'-P energy: -66.415
bonds (distance) P-C4' energy: -66.743
flat angles C4'-P-C4' energy: -78.041
flat angles P-C4'-P energy: -52.391
tors. eta vs tors. theta energy: -90.894
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: 8
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1032.356810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.356810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.356810 (E_RNA)
where:
Base-Base interactions energy: -704.847
where: short stacking energy: -307.257
Base-Backbone interact. energy: -0.231
local terms energy: -328.225212
where:
bonds (distance) C4'-P energy: -63.664
bonds (distance) P-C4' energy: -59.584
flat angles C4'-P-C4' energy: -59.706
flat angles P-C4'-P energy: -57.029
tors. eta vs tors. theta energy: -88.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.946 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1028.140525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.140525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.140525 (E_RNA)
where:
Base-Base interactions energy: -715.862
where: short stacking energy: -293.429
Base-Backbone interact. energy: -4.761
local terms energy: -307.516645
where:
bonds (distance) C4'-P energy: -51.166
bonds (distance) P-C4' energy: -71.100
flat angles C4'-P-C4' energy: -54.325
flat angles P-C4'-P energy: -40.385
tors. eta vs tors. theta energy: -90.541
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: 9
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -907.664741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.664741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.664741 (E_RNA)
where:
Base-Base interactions energy: -590.403
where: short stacking energy: -256.576
Base-Backbone interact. energy: 0.704
local terms energy: -320.434430
where:
bonds (distance) C4'-P energy: -53.972
bonds (distance) P-C4' energy: -67.514
flat angles C4'-P-C4' energy: -73.384
flat angles P-C4'-P energy: -48.450
tors. eta vs tors. theta energy: -77.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 2.469 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -868.304900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.304900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.304900 (E_RNA)
where:
Base-Base interactions energy: -577.240
where: short stacking energy: -253.895
Base-Backbone interact. energy: -3.004
local terms energy: -288.061287
where:
bonds (distance) C4'-P energy: -67.567
bonds (distance) P-C4' energy: -59.722
flat angles C4'-P-C4' energy: -72.844
flat angles P-C4'-P energy: -26.383
tors. eta vs tors. theta energy: -61.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -762.007837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.007837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.007837 (E_RNA)
where:
Base-Base interactions energy: -507.504
where: short stacking energy: -217.172
Base-Backbone interact. energy: -1.864
local terms energy: -252.639312
where:
bonds (distance) C4'-P energy: -52.981
bonds (distance) P-C4' energy: -57.775
flat angles C4'-P-C4' energy: -52.568
flat angles P-C4'-P energy: -31.869
tors. eta vs tors. theta energy: -57.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -804.991507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.991507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.991507 (E_RNA)
where:
Base-Base interactions energy: -532.116
where: short stacking energy: -226.577
Base-Backbone interact. energy: -0.158
local terms energy: -272.716934
where:
bonds (distance) C4'-P energy: -63.240
bonds (distance) P-C4' energy: -54.680
flat angles C4'-P-C4' energy: -59.257
flat angles P-C4'-P energy: -38.903
tors. eta vs tors. theta energy: -56.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -464.686841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.686841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.686841 (E_RNA)
where:
Base-Base interactions energy: -247.431
where: short stacking energy: -113.918
Base-Backbone interact. energy: 0.824
local terms energy: -218.079764
where:
bonds (distance) C4'-P energy: -51.002
bonds (distance) P-C4' energy: -62.615
flat angles C4'-P-C4' energy: -63.623
flat angles P-C4'-P energy: -35.667
tors. eta vs tors. theta energy: -5.173
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: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -375.026534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.026534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.026534 (E_RNA)
where:
Base-Base interactions energy: -207.224
where: short stacking energy: -126.153
Base-Backbone interact. energy: -2.252
local terms energy: -165.550330
where:
bonds (distance) C4'-P energy: -49.206
bonds (distance) P-C4' energy: -47.560
flat angles C4'-P-C4' energy: -42.869
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: -6.225
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: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -341.706116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.706116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.706116 (E_RNA)
where:
Base-Base interactions energy: -177.812
where: short stacking energy: -98.591
Base-Backbone interact. energy: 2.014
local terms energy: -165.907986
where:
bonds (distance) C4'-P energy: -48.726
bonds (distance) P-C4' energy: -48.841
flat angles C4'-P-C4' energy: -48.093
flat angles P-C4'-P energy: -22.554
tors. eta vs tors. theta energy: 2.306
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: 4
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1081.543503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.543503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.543503 (E_RNA)
where:
Base-Base interactions energy: -731.953
where: short stacking energy: -307.422
Base-Backbone interact. energy: -1.805
local terms energy: -348.364821
where:
bonds (distance) C4'-P energy: -62.312
bonds (distance) P-C4' energy: -66.081
flat angles C4'-P-C4' energy: -76.807
flat angles P-C4'-P energy: -56.287
tors. eta vs tors. theta energy: -86.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.578 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1028.032238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.032238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.032238 (E_RNA)
where:
Base-Base interactions energy: -700.827
where: short stacking energy: -291.235
Base-Backbone interact. energy: -0.040
local terms energy: -327.379966
where:
bonds (distance) C4'-P energy: -57.393
bonds (distance) P-C4' energy: -64.304
flat angles C4'-P-C4' energy: -70.609
flat angles P-C4'-P energy: -53.400
tors. eta vs tors. theta energy: -81.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.215 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1019.749298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.749298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.749298 (E_RNA)
where:
Base-Base interactions energy: -680.812
where: short stacking energy: -297.421
Base-Backbone interact. energy: -2.645
local terms energy: -336.292333
where:
bonds (distance) C4'-P energy: -58.598
bonds (distance) P-C4' energy: -69.210
flat angles C4'-P-C4' energy: -71.676
flat angles P-C4'-P energy: -54.281
tors. eta vs tors. theta energy: -82.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -915.075498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.075498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.075498 (E_RNA)
where:
Base-Base interactions energy: -613.964
where: short stacking energy: -257.656
Base-Backbone interact. energy: 0.851
local terms energy: -301.962404
where:
bonds (distance) C4'-P energy: -66.033
bonds (distance) P-C4' energy: -61.217
flat angles C4'-P-C4' energy: -59.723
flat angles P-C4'-P energy: -48.093
tors. eta vs tors. theta energy: -66.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -873.273513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.273513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.273513 (E_RNA)
where:
Base-Base interactions energy: -591.189
where: short stacking energy: -238.167
Base-Backbone interact. energy: 0.286
local terms energy: -282.370547
where:
bonds (distance) C4'-P energy: -60.885
bonds (distance) P-C4' energy: -63.510
flat angles C4'-P-C4' energy: -55.437
flat angles P-C4'-P energy: -41.711
tors. eta vs tors. theta energy: -60.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -751.659475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.659475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.659475 (E_RNA)
where:
Base-Base interactions energy: -493.450
where: short stacking energy: -228.027
Base-Backbone interact. energy: -1.193
local terms energy: -257.016316
where:
bonds (distance) C4'-P energy: -51.429
bonds (distance) P-C4' energy: -52.370
flat angles C4'-P-C4' energy: -56.716
flat angles P-C4'-P energy: -36.096
tors. eta vs tors. theta energy: -60.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -780.193195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.193195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.193195 (E_RNA)
where:
Base-Base interactions energy: -509.059
where: short stacking energy: -225.778
Base-Backbone interact. energy: -0.822
local terms energy: -270.312598
where:
bonds (distance) C4'-P energy: -51.301
bonds (distance) P-C4' energy: -52.402
flat angles C4'-P-C4' energy: -60.708
flat angles P-C4'-P energy: -49.081
tors. eta vs tors. theta energy: -56.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -431.989014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.989014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.989014 (E_RNA)
where:
Base-Base interactions energy: -213.774
where: short stacking energy: -116.958
Base-Backbone interact. energy: 3.095
local terms energy: -221.310148
where:
bonds (distance) C4'-P energy: -69.010
bonds (distance) P-C4' energy: -53.293
flat angles C4'-P-C4' energy: -53.010
flat angles P-C4'-P energy: -32.438
tors. eta vs tors. theta energy: -13.559
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: 9, replica: 7
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -404.192348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.192348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.192348 (E_RNA)
where:
Base-Base interactions energy: -207.497
where: short stacking energy: -115.213
Base-Backbone interact. energy: -1.965
local terms energy: -194.729902
where:
bonds (distance) C4'-P energy: -50.385
bonds (distance) P-C4' energy: -66.042
flat angles C4'-P-C4' energy: -38.552
flat angles P-C4'-P energy: -36.602
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -356.559720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.559720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.559720 (E_RNA)
where:
Base-Base interactions energy: -170.094
where: short stacking energy: -89.790
Base-Backbone interact. energy: -1.121
local terms energy: -185.344342
where:
bonds (distance) C4'-P energy: -47.603
bonds (distance) P-C4' energy: -56.230
flat angles C4'-P-C4' energy: -54.080
flat angles P-C4'-P energy: -26.945
tors. eta vs tors. theta energy: -0.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1067.724331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.724331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.724331 (E_RNA)
where:
Base-Base interactions energy: -724.511
where: short stacking energy: -293.902
Base-Backbone interact. energy: -1.736
local terms energy: -341.477187
where:
bonds (distance) C4'-P energy: -59.621
bonds (distance) P-C4' energy: -71.467
flat angles C4'-P-C4' energy: -71.313
flat angles P-C4'-P energy: -53.298
tors. eta vs tors. theta energy: -85.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1025.742253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.742253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.742253 (E_RNA)
where:
Base-Base interactions energy: -700.893
where: short stacking energy: -285.075
Base-Backbone interact. energy: -2.193
local terms energy: -322.656072
where:
bonds (distance) C4'-P energy: -61.616
bonds (distance) P-C4' energy: -54.908
flat angles C4'-P-C4' energy: -76.401
flat angles P-C4'-P energy: -50.394
tors. eta vs tors. theta energy: -79.337
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: 3, replica: 8
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1031.500216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.500216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.500216 (E_RNA)
where:
Base-Base interactions energy: -722.613
where: short stacking energy: -292.313
Base-Backbone interact. energy: -2.604
local terms energy: -306.284000
where:
bonds (distance) C4'-P energy: -52.575
bonds (distance) P-C4' energy: -61.285
flat angles C4'-P-C4' energy: -65.084
flat angles P-C4'-P energy: -46.539
tors. eta vs tors. theta energy: -80.801
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: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -918.773066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.773066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.773066 (E_RNA)
where:
Base-Base interactions energy: -632.496
where: short stacking energy: -253.000
Base-Backbone interact. energy: -0.295
local terms energy: -285.982281
where:
bonds (distance) C4'-P energy: -52.575
bonds (distance) P-C4' energy: -57.889
flat angles C4'-P-C4' energy: -64.049
flat angles P-C4'-P energy: -49.740
tors. eta vs tors. theta energy: -61.729
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: 455
Temperature: 1.100000
Total energy: -858.653922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.653922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.653922 (E_RNA)
where:
Base-Base interactions energy: -563.096
where: short stacking energy: -242.966
Base-Backbone interact. energy: -2.076
local terms energy: -293.481685
where:
bonds (distance) C4'-P energy: -50.599
bonds (distance) P-C4' energy: -74.552
flat angles C4'-P-C4' energy: -60.269
flat angles P-C4'-P energy: -37.221
tors. eta vs tors. theta energy: -70.841
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: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -791.434594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.434594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.434594 (E_RNA)
where:
Base-Base interactions energy: -504.332
where: short stacking energy: -236.114
Base-Backbone interact. energy: -0.494
local terms energy: -286.608714
where:
bonds (distance) C4'-P energy: -61.236
bonds (distance) P-C4' energy: -49.961
flat angles C4'-P-C4' energy: -62.350
flat angles P-C4'-P energy: -42.515
tors. eta vs tors. theta energy: -70.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -756.405697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.405697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.405697 (E_RNA)
where:
Base-Base interactions energy: -476.865
where: short stacking energy: -212.252
Base-Backbone interact. energy: -0.106
local terms energy: -279.433941
where:
bonds (distance) C4'-P energy: -44.891
bonds (distance) P-C4' energy: -58.489
flat angles C4'-P-C4' energy: -68.848
flat angles P-C4'-P energy: -45.960
tors. eta vs tors. theta energy: -61.246
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: 455
Temperature: 1.250000
Total energy: -466.839363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.839363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.839363 (E_RNA)
where:
Base-Base interactions energy: -235.314
where: short stacking energy: -139.949
Base-Backbone interact. energy: -1.042
local terms energy: -230.483738
where:
bonds (distance) C4'-P energy: -60.212
bonds (distance) P-C4' energy: -61.201
flat angles C4'-P-C4' energy: -45.631
flat angles P-C4'-P energy: -38.915
tors. eta vs tors. theta energy: -24.524
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: 9, replica: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -386.172432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.172432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.172432 (E_RNA)
where:
Base-Base interactions energy: -184.817
where: short stacking energy: -108.216
Base-Backbone interact. energy: 0.449
local terms energy: -201.805135
where:
bonds (distance) C4'-P energy: -53.605
bonds (distance) P-C4' energy: -66.277
flat angles C4'-P-C4' energy: -56.303
flat angles P-C4'-P energy: -27.659
tors. eta vs tors. theta energy: 2.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -316.041867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.041867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.041867 (E_RNA)
where:
Base-Base interactions energy: -140.881
where: short stacking energy: -83.304
Base-Backbone interact. energy: 6.060
local terms energy: -181.221027
where:
bonds (distance) C4'-P energy: -62.158
bonds (distance) P-C4' energy: -44.965
flat angles C4'-P-C4' energy: -53.109
flat angles P-C4'-P energy: -28.427
tors. eta vs tors. theta energy: 7.439
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: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1084.167809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.167809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.167809 (E_RNA)
where:
Base-Base interactions energy: -735.272
where: short stacking energy: -320.963
Base-Backbone interact. energy: -1.274
local terms energy: -347.621805
where:
bonds (distance) C4'-P energy: -66.592
bonds (distance) P-C4' energy: -67.754
flat angles C4'-P-C4' energy: -68.542
flat angles P-C4'-P energy: -55.330
tors. eta vs tors. theta energy: -89.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -993.739013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.739013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.739013 (E_RNA)
where:
Base-Base interactions energy: -674.618
where: short stacking energy: -292.214
Base-Backbone interact. energy: 0.110
local terms energy: -319.231802
where:
bonds (distance) C4'-P energy: -65.855
bonds (distance) P-C4' energy: -66.227
flat angles C4'-P-C4' energy: -68.675
flat angles P-C4'-P energy: -44.434
tors. eta vs tors. theta energy: -74.042
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: 8
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1033.185817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.185817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.185817 (E_RNA)
where:
Base-Base interactions energy: -689.067
where: short stacking energy: -306.343
Base-Backbone interact. energy: -1.817
local terms energy: -342.302132
where:
bonds (distance) C4'-P energy: -66.155
bonds (distance) P-C4' energy: -65.269
flat angles C4'-P-C4' energy: -65.446
flat angles P-C4'-P energy: -56.385
tors. eta vs tors. theta energy: -89.048
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: 6
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -918.534566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.534566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.534566 (E_RNA)
where:
Base-Base interactions energy: -602.052
where: short stacking energy: -263.551
Base-Backbone interact. energy: 1.084
local terms energy: -317.566862
where:
bonds (distance) C4'-P energy: -66.668
bonds (distance) P-C4' energy: -61.243
flat angles C4'-P-C4' energy: -71.504
flat angles P-C4'-P energy: -45.485
tors. eta vs tors. theta energy: -72.667
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: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -877.726513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.726513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.726513 (E_RNA)
where:
Base-Base interactions energy: -601.932
where: short stacking energy: -261.484
Base-Backbone interact. energy: 0.190
local terms energy: -275.984271
where:
bonds (distance) C4'-P energy: -53.146
bonds (distance) P-C4' energy: -47.945
flat angles C4'-P-C4' energy: -63.973
flat angles P-C4'-P energy: -41.631
tors. eta vs tors. theta energy: -69.288
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: 456
Temperature: 1.150000
Total energy: -822.954149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.954149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.954149 (E_RNA)
where:
Base-Base interactions energy: -535.433
where: short stacking energy: -250.811
Base-Backbone interact. energy: -2.896
local terms energy: -284.624534
where:
bonds (distance) C4'-P energy: -72.829
bonds (distance) P-C4' energy: -46.158
flat angles C4'-P-C4' energy: -64.252
flat angles P-C4'-P energy: -40.649
tors. eta vs tors. theta energy: -60.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -787.587423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.587423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.587423 (E_RNA)
where:
Base-Base interactions energy: -506.461
where: short stacking energy: -212.532
Base-Backbone interact. energy: -0.654
local terms energy: -280.472267
where:
bonds (distance) C4'-P energy: -60.073
bonds (distance) P-C4' energy: -56.264
flat angles C4'-P-C4' energy: -64.867
flat angles P-C4'-P energy: -35.644
tors. eta vs tors. theta energy: -63.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -442.136661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.136661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.136661 (E_RNA)
where:
Base-Base interactions energy: -227.907
where: short stacking energy: -109.903
Base-Backbone interact. energy: -1.436
local terms energy: -213.014447
where:
bonds (distance) C4'-P energy: -63.530
bonds (distance) P-C4' energy: -66.655
flat angles C4'-P-C4' energy: -41.553
flat angles P-C4'-P energy: -39.813
tors. eta vs tors. theta energy: -1.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.221 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -407.601523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.601523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.601523 (E_RNA)
where:
Base-Base interactions energy: -207.735
where: short stacking energy: -120.246
Base-Backbone interact. energy: -0.504
local terms energy: -199.363239
where:
bonds (distance) C4'-P energy: -50.182
bonds (distance) P-C4' energy: -54.145
flat angles C4'-P-C4' energy: -41.569
flat angles P-C4'-P energy: -37.054
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -318.852519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.852519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.852519 (E_RNA)
where:
Base-Base interactions energy: -138.913
where: short stacking energy: -89.880
Base-Backbone interact. energy: 1.162
local terms energy: -181.101112
where:
bonds (distance) C4'-P energy: -56.960
bonds (distance) P-C4' energy: -56.761
flat angles C4'-P-C4' energy: -51.433
flat angles P-C4'-P energy: -24.322
tors. eta vs tors. theta energy: 8.375
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: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1071.075186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.075186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.075186 (E_RNA)
where:
Base-Base interactions energy: -735.377
where: short stacking energy: -323.436
Base-Backbone interact. energy: -0.869
local terms energy: -334.828661
where:
bonds (distance) C4'-P energy: -68.569
bonds (distance) P-C4' energy: -64.946
flat angles C4'-P-C4' energy: -72.173
flat angles P-C4'-P energy: -45.029
tors. eta vs tors. theta energy: -84.111
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: 8
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1060.371914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.371914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.371914 (E_RNA)
where:
Base-Base interactions energy: -744.843
where: short stacking energy: -317.170
Base-Backbone interact. energy: -3.310
local terms energy: -312.219118
where:
bonds (distance) C4'-P energy: -47.077
bonds (distance) P-C4' energy: -66.815
flat angles C4'-P-C4' energy: -71.287
flat angles P-C4'-P energy: -46.300
tors. eta vs tors. theta energy: -80.741
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: 2
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1017.509901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.509901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.509901 (E_RNA)
where:
Base-Base interactions energy: -696.326
where: short stacking energy: -307.831
Base-Backbone interact. energy: -3.723
local terms energy: -317.460509
where:
bonds (distance) C4'-P energy: -65.548
bonds (distance) P-C4' energy: -59.300
flat angles C4'-P-C4' energy: -74.685
flat angles P-C4'-P energy: -38.331
tors. eta vs tors. theta energy: -79.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -929.374336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.374336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.374336 (E_RNA)
where:
Base-Base interactions energy: -633.484
where: short stacking energy: -268.169
Base-Backbone interact. energy: -1.228
local terms energy: -294.662294
where:
bonds (distance) C4'-P energy: -58.764
bonds (distance) P-C4' energy: -57.182
flat angles C4'-P-C4' energy: -63.666
flat angles P-C4'-P energy: -40.379
tors. eta vs tors. theta energy: -74.672
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: 5, replica: 9
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -878.312924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.312924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.312924 (E_RNA)
where:
Base-Base interactions energy: -579.210
where: short stacking energy: -251.157
Base-Backbone interact. energy: -0.300
local terms energy: -298.802676
where:
bonds (distance) C4'-P energy: -62.791
bonds (distance) P-C4' energy: -63.992
flat angles C4'-P-C4' energy: -62.299
flat angles P-C4'-P energy: -45.809
tors. eta vs tors. theta energy: -63.910
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: 457
Temperature: 1.150000
Total energy: -809.698184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.698184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.698184 (E_RNA)
where:
Base-Base interactions energy: -516.514
where: short stacking energy: -231.064
Base-Backbone interact. energy: -0.979
local terms energy: -292.205803
where:
bonds (distance) C4'-P energy: -62.194
bonds (distance) P-C4' energy: -66.289
flat angles C4'-P-C4' energy: -65.374
flat angles P-C4'-P energy: -39.919
tors. eta vs tors. theta energy: -58.430
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: 7, replica: 5
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -792.280335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.280335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.280335 (E_RNA)
where:
Base-Base interactions energy: -525.474
where: short stacking energy: -241.376
Base-Backbone interact. energy: 3.838
local terms energy: -270.645246
where:
bonds (distance) C4'-P energy: -52.525
bonds (distance) P-C4' energy: -47.249
flat angles C4'-P-C4' energy: -56.692
flat angles P-C4'-P energy: -53.160
tors. eta vs tors. theta energy: -61.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -448.030421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.030421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.030421 (E_RNA)
where:
Base-Base interactions energy: -228.403
where: short stacking energy: -122.764
Base-Backbone interact. energy: -0.595
local terms energy: -219.032720
where:
bonds (distance) C4'-P energy: -57.161
bonds (distance) P-C4' energy: -63.471
flat angles C4'-P-C4' energy: -50.724
flat angles P-C4'-P energy: -38.907
tors. eta vs tors. theta energy: -8.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -389.196534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.196534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.196534 (E_RNA)
where:
Base-Base interactions energy: -201.566
where: short stacking energy: -104.675
Base-Backbone interact. energy: -1.640
local terms energy: -185.990503
where:
bonds (distance) C4'-P energy: -42.960
bonds (distance) P-C4' energy: -60.803
flat angles C4'-P-C4' energy: -47.124
flat angles P-C4'-P energy: -32.473
tors. eta vs tors. theta energy: -2.629
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: 10, replica: 3
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -351.844487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.844487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.844487 (E_RNA)
where:
Base-Base interactions energy: -154.172
where: short stacking energy: -112.822
Base-Backbone interact. energy: -0.058
local terms energy: -197.614126
where:
bonds (distance) C4'-P energy: -54.638
bonds (distance) P-C4' energy: -57.476
flat angles C4'-P-C4' energy: -65.797
flat angles P-C4'-P energy: -22.147
tors. eta vs tors. theta energy: 2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1073.015282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.015282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.015282 (E_RNA)
where:
Base-Base interactions energy: -728.265
where: short stacking energy: -320.051
Base-Backbone interact. energy: -1.509
local terms energy: -343.241326
where:
bonds (distance) C4'-P energy: -66.591
bonds (distance) P-C4' energy: -69.793
flat angles C4'-P-C4' energy: -79.167
flat angles P-C4'-P energy: -40.804
tors. eta vs tors. theta energy: -86.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1061.038984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.038984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.038984 (E_RNA)
where:
Base-Base interactions energy: -718.314
where: short stacking energy: -307.265
Base-Backbone interact. energy: -2.002
local terms energy: -340.722781
where:
bonds (distance) C4'-P energy: -61.737
bonds (distance) P-C4' energy: -67.726
flat angles C4'-P-C4' energy: -75.033
flat angles P-C4'-P energy: -50.943
tors. eta vs tors. theta energy: -85.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -985.830429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.830429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.830429 (E_RNA)
where:
Base-Base interactions energy: -666.327
where: short stacking energy: -297.874
Base-Backbone interact. energy: -1.251
local terms energy: -318.252145
where:
bonds (distance) C4'-P energy: -70.414
bonds (distance) P-C4' energy: -64.076
flat angles C4'-P-C4' energy: -61.524
flat angles P-C4'-P energy: -46.195
tors. eta vs tors. theta energy: -76.043
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: 6
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -930.030853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.030853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.030853 (E_RNA)
where:
Base-Base interactions energy: -621.210
where: short stacking energy: -278.307
Base-Backbone interact. energy: 1.519
local terms energy: -310.339659
where:
bonds (distance) C4'-P energy: -53.526
bonds (distance) P-C4' energy: -68.987
flat angles C4'-P-C4' energy: -67.426
flat angles P-C4'-P energy: -44.369
tors. eta vs tors. theta energy: -76.032
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: 9
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -881.253365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.253365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.253365 (E_RNA)
where:
Base-Base interactions energy: -589.537
where: short stacking energy: -249.156
Base-Backbone interact. energy: -1.077
local terms energy: -290.639979
where:
bonds (distance) C4'-P energy: -57.182
bonds (distance) P-C4' energy: -66.027
flat angles C4'-P-C4' energy: -64.981
flat angles P-C4'-P energy: -34.774
tors. eta vs tors. theta energy: -67.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -820.409219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.409219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.409219 (E_RNA)
where:
Base-Base interactions energy: -537.798
where: short stacking energy: -235.565
Base-Backbone interact. energy: -1.066
local terms energy: -281.545113
where:
bonds (distance) C4'-P energy: -61.098
bonds (distance) P-C4' energy: -53.467
flat angles C4'-P-C4' energy: -51.791
flat angles P-C4'-P energy: -43.811
tors. eta vs tors. theta energy: -71.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -836.875413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.875413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.875413 (E_RNA)
where:
Base-Base interactions energy: -548.105
where: short stacking energy: -230.214
Base-Backbone interact. energy: -2.275
local terms energy: -286.495432
where:
bonds (distance) C4'-P energy: -61.412
bonds (distance) P-C4' energy: -64.116
flat angles C4'-P-C4' energy: -55.066
flat angles P-C4'-P energy: -40.767
tors. eta vs tors. theta energy: -65.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -472.547065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.547065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.547065 (E_RNA)
where:
Base-Base interactions energy: -271.341
where: short stacking energy: -144.115
Base-Backbone interact. energy: 3.046
local terms energy: -204.252199
where:
bonds (distance) C4'-P energy: -46.976
bonds (distance) P-C4' energy: -47.831
flat angles C4'-P-C4' energy: -54.859
flat angles P-C4'-P energy: -37.010
tors. eta vs tors. theta energy: -17.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -401.926291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.926291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.926291 (E_RNA)
where:
Base-Base interactions energy: -214.186
where: short stacking energy: -103.230
Base-Backbone interact. energy: 3.009
local terms energy: -190.749660
where:
bonds (distance) C4'-P energy: -57.845
bonds (distance) P-C4' energy: -63.781
flat angles C4'-P-C4' energy: -45.901
flat angles P-C4'-P energy: -20.783
tors. eta vs tors. theta energy: -2.440
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: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -352.349102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.349102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.349102 (E_RNA)
where:
Base-Base interactions energy: -170.385
where: short stacking energy: -86.239
Base-Backbone interact. energy: 0.776
local terms energy: -182.739582
where:
bonds (distance) C4'-P energy: -45.627
bonds (distance) P-C4' energy: -58.386
flat angles C4'-P-C4' energy: -45.153
flat angles P-C4'-P energy: -32.253
tors. eta vs tors. theta energy: -1.320
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: 4
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1073.350771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.350771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.350771 (E_RNA)
where:
Base-Base interactions energy: -733.047
where: short stacking energy: -317.885
Base-Backbone interact. energy: 0.544
local terms energy: -340.973664
where:
bonds (distance) C4'-P energy: -59.194
bonds (distance) P-C4' energy: -64.127
flat angles C4'-P-C4' energy: -74.554
flat angles P-C4'-P energy: -46.843
tors. eta vs tors. theta energy: -96.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.126 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1035.278556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.278556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.278556 (E_RNA)
where:
Base-Base interactions energy: -733.791
where: short stacking energy: -303.912
Base-Backbone interact. energy: -4.384
local terms energy: -297.116400
where:
bonds (distance) C4'-P energy: -57.290
bonds (distance) P-C4' energy: -60.954
flat angles C4'-P-C4' energy: -65.882
flat angles P-C4'-P energy: -31.519
tors. eta vs tors. theta energy: -81.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.013 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1008.558296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.558296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.558296 (E_RNA)
where:
Base-Base interactions energy: -678.871
where: short stacking energy: -298.460
Base-Backbone interact. energy: -1.411
local terms energy: -328.276331
where:
bonds (distance) C4'-P energy: -64.997
bonds (distance) P-C4' energy: -68.996
flat angles C4'-P-C4' energy: -74.078
flat angles P-C4'-P energy: -42.113
tors. eta vs tors. theta energy: -78.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -922.667370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.667370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.667370 (E_RNA)
where:
Base-Base interactions energy: -613.532
where: short stacking energy: -254.425
Base-Backbone interact. energy: -0.272
local terms energy: -308.863652
where:
bonds (distance) C4'-P energy: -60.423
bonds (distance) P-C4' energy: -61.878
flat angles C4'-P-C4' energy: -69.023
flat angles P-C4'-P energy: -47.912
tors. eta vs tors. theta energy: -69.628
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: 6
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -885.930218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.930218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.930218 (E_RNA)
where:
Base-Base interactions energy: -574.139
where: short stacking energy: -248.015
Base-Backbone interact. energy: -1.881
local terms energy: -309.911054
where:
bonds (distance) C4'-P energy: -62.401
bonds (distance) P-C4' energy: -68.771
flat angles C4'-P-C4' energy: -69.798
flat angles P-C4'-P energy: -43.356
tors. eta vs tors. theta energy: -65.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -839.559707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.559707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.559707 (E_RNA)
where:
Base-Base interactions energy: -575.820
where: short stacking energy: -256.579
Base-Backbone interact. energy: -1.125
local terms energy: -262.614621
where:
bonds (distance) C4'-P energy: -54.439
bonds (distance) P-C4' energy: -52.252
flat angles C4'-P-C4' energy: -55.020
flat angles P-C4'-P energy: -36.438
tors. eta vs tors. theta energy: -64.465
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: 7, replica: 5
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -800.645748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.645748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.645748 (E_RNA)
where:
Base-Base interactions energy: -545.755
where: short stacking energy: -243.920
Base-Backbone interact. energy: -1.074
local terms energy: -253.816197
where:
bonds (distance) C4'-P energy: -40.616
bonds (distance) P-C4' energy: -43.874
flat angles C4'-P-C4' energy: -63.014
flat angles P-C4'-P energy: -40.486
tors. eta vs tors. theta energy: -65.826
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: 8, replica: 7
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -483.667152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.667152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.667152 (E_RNA)
where:
Base-Base interactions energy: -275.456
where: short stacking energy: -128.412
Base-Backbone interact. energy: 4.330
local terms energy: -213.628148
where:
bonds (distance) C4'-P energy: -48.446
bonds (distance) P-C4' energy: -54.912
flat angles C4'-P-C4' energy: -64.218
flat angles P-C4'-P energy: -24.114
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.087 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -361.885674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.885674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.885674 (E_RNA)
where:
Base-Base interactions energy: -161.069
where: short stacking energy: -116.827
Base-Backbone interact. energy: 0.016
local terms energy: -200.832281
where:
bonds (distance) C4'-P energy: -46.210
bonds (distance) P-C4' energy: -55.528
flat angles C4'-P-C4' energy: -47.347
flat angles P-C4'-P energy: -38.902
tors. eta vs tors. theta energy: -12.845
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: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -348.145590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.145590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.145590 (E_RNA)
where:
Base-Base interactions energy: -170.507
where: short stacking energy: -99.324
Base-Backbone interact. energy: -0.733
local terms energy: -176.906366
where:
bonds (distance) C4'-P energy: -43.074
bonds (distance) P-C4' energy: -66.444
flat angles C4'-P-C4' energy: -44.934
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -1.180
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: 8
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1072.230108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.230108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.230108 (E_RNA)
where:
Base-Base interactions energy: -737.122
where: short stacking energy: -306.020
Base-Backbone interact. energy: -1.141
local terms energy: -333.967250
where:
bonds (distance) C4'-P energy: -61.565
bonds (distance) P-C4' energy: -66.103
flat angles C4'-P-C4' energy: -75.484
flat angles P-C4'-P energy: -50.848
tors. eta vs tors. theta energy: -79.966
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: 4
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1051.870199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.870199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.870199 (E_RNA)
where:
Base-Base interactions energy: -727.310
where: short stacking energy: -321.231
Base-Backbone interact. energy: -2.235
local terms energy: -322.324347
where:
bonds (distance) C4'-P energy: -58.583
bonds (distance) P-C4' energy: -64.422
flat angles C4'-P-C4' energy: -65.710
flat angles P-C4'-P energy: -45.533
tors. eta vs tors. theta energy: -88.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -988.897440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.897440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.897440 (E_RNA)
where:
Base-Base interactions energy: -670.409
where: short stacking energy: -292.802
Base-Backbone interact. energy: -2.493
local terms energy: -315.994792
where:
bonds (distance) C4'-P energy: -55.754
bonds (distance) P-C4' energy: -58.258
flat angles C4'-P-C4' energy: -73.432
flat angles P-C4'-P energy: -50.622
tors. eta vs tors. theta energy: -77.929
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: 9
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -885.974758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.974758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.974758 (E_RNA)
where:
Base-Base interactions energy: -588.646
where: short stacking energy: -271.887
Base-Backbone interact. energy: -1.250
local terms energy: -297.597337
where:
bonds (distance) C4'-P energy: -50.874
bonds (distance) P-C4' energy: -64.483
flat angles C4'-P-C4' energy: -64.960
flat angles P-C4'-P energy: -43.638
tors. eta vs tors. theta energy: -73.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.519 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -910.478785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.478785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.478785 (E_RNA)
where:
Base-Base interactions energy: -632.303
where: short stacking energy: -255.031
Base-Backbone interact. energy: -0.332
local terms energy: -277.843484
where:
bonds (distance) C4'-P energy: -52.077
bonds (distance) P-C4' energy: -53.273
flat angles C4'-P-C4' energy: -63.823
flat angles P-C4'-P energy: -40.752
tors. eta vs tors. theta energy: -67.918
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: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -838.772457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.772457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.772457 (E_RNA)
where:
Base-Base interactions energy: -558.289
where: short stacking energy: -245.638
Base-Backbone interact. energy: 2.499
local terms energy: -282.982465
where:
bonds (distance) C4'-P energy: -54.930
bonds (distance) P-C4' energy: -63.540
flat angles C4'-P-C4' energy: -64.269
flat angles P-C4'-P energy: -39.791
tors. eta vs tors. theta energy: -60.452
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: 5
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -808.276866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.276866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.276866 (E_RNA)
where:
Base-Base interactions energy: -524.480
where: short stacking energy: -245.943
Base-Backbone interact. energy: 2.548
local terms energy: -286.344979
where:
bonds (distance) C4'-P energy: -52.191
bonds (distance) P-C4' energy: -63.250
flat angles C4'-P-C4' energy: -61.767
flat angles P-C4'-P energy: -44.421
tors. eta vs tors. theta energy: -64.715
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: 7
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -448.950476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.950476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.950476 (E_RNA)
where:
Base-Base interactions energy: -255.895
where: short stacking energy: -136.846
Base-Backbone interact. energy: -1.473
local terms energy: -191.582214
where:
bonds (distance) C4'-P energy: -47.991
bonds (distance) P-C4' energy: -57.209
flat angles C4'-P-C4' energy: -43.834
flat angles P-C4'-P energy: -28.020
tors. eta vs tors. theta energy: -14.529
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: 9, replica: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -365.803539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.803539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.803539 (E_RNA)
where:
Base-Base interactions energy: -166.178
where: short stacking energy: -104.575
Base-Backbone interact. energy: 1.668
local terms energy: -201.293480
where:
bonds (distance) C4'-P energy: -44.870
bonds (distance) P-C4' energy: -60.063
flat angles C4'-P-C4' energy: -48.370
flat angles P-C4'-P energy: -35.762
tors. eta vs tors. theta energy: -12.229
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: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -355.609945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.609945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.609945 (E_RNA)
where:
Base-Base interactions energy: -183.917
where: short stacking energy: -106.637
Base-Backbone interact. energy: -1.909
local terms energy: -169.783330
where:
bonds (distance) C4'-P energy: -43.672
bonds (distance) P-C4' energy: -53.698
flat angles C4'-P-C4' energy: -49.687
flat angles P-C4'-P energy: -21.956
tors. eta vs tors. theta energy: -0.771
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: 8
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1050.820626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.820626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.820626 (E_RNA)
where:
Base-Base interactions energy: -725.941
where: short stacking energy: -308.821
Base-Backbone interact. energy: -3.631
local terms energy: -321.248017
where:
bonds (distance) C4'-P energy: -61.901
bonds (distance) P-C4' energy: -66.975
flat angles C4'-P-C4' energy: -67.444
flat angles P-C4'-P energy: -46.024
tors. eta vs tors. theta energy: -78.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1049.729656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.729656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.729656 (E_RNA)
where:
Base-Base interactions energy: -698.638
where: short stacking energy: -296.036
Base-Backbone interact. energy: 0.256
local terms energy: -351.347833
where:
bonds (distance) C4'-P energy: -67.671
bonds (distance) P-C4' energy: -74.075
flat angles C4'-P-C4' energy: -72.581
flat angles P-C4'-P energy: -51.077
tors. eta vs tors. theta energy: -85.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -997.962717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.962717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.962717 (E_RNA)
where:
Base-Base interactions energy: -687.115
where: short stacking energy: -276.455
Base-Backbone interact. energy: -0.796
local terms energy: -310.051209
where:
bonds (distance) C4'-P energy: -70.903
bonds (distance) P-C4' energy: -62.624
flat angles C4'-P-C4' energy: -60.613
flat angles P-C4'-P energy: -34.655
tors. eta vs tors. theta energy: -81.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -931.967888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.967888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.967888 (E_RNA)
where:
Base-Base interactions energy: -642.614
where: short stacking energy: -270.663
Base-Backbone interact. energy: -0.389
local terms energy: -288.964397
where:
bonds (distance) C4'-P energy: -54.476
bonds (distance) P-C4' energy: -62.984
flat angles C4'-P-C4' energy: -55.651
flat angles P-C4'-P energy: -49.469
tors. eta vs tors. theta energy: -66.384
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: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -859.622463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.622463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.622463 (E_RNA)
where:
Base-Base interactions energy: -577.969
where: short stacking energy: -252.883
Base-Backbone interact. energy: -0.743
local terms energy: -281.011442
where:
bonds (distance) C4'-P energy: -63.036
bonds (distance) P-C4' energy: -45.908
flat angles C4'-P-C4' energy: -60.726
flat angles P-C4'-P energy: -42.826
tors. eta vs tors. theta energy: -68.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.100 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -823.172680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.172680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.172680 (E_RNA)
where:
Base-Base interactions energy: -552.702
where: short stacking energy: -253.754
Base-Backbone interact. energy: -0.922
local terms energy: -269.548461
where:
bonds (distance) C4'-P energy: -41.368
bonds (distance) P-C4' energy: -59.235
flat angles C4'-P-C4' energy: -57.920
flat angles P-C4'-P energy: -36.827
tors. eta vs tors. theta energy: -74.198
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: 5
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -708.031642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.031642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.031642 (E_RNA)
where:
Base-Base interactions energy: -461.847
where: short stacking energy: -214.970
Base-Backbone interact. energy: -1.531
local terms energy: -244.739627
where:
bonds (distance) C4'-P energy: -50.977
bonds (distance) P-C4' energy: -51.141
flat angles C4'-P-C4' energy: -53.159
flat angles P-C4'-P energy: -43.292
tors. eta vs tors. theta energy: -46.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.086 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -465.326953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.326953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.326953 (E_RNA)
where:
Base-Base interactions energy: -251.852
where: short stacking energy: -149.805
Base-Backbone interact. energy: -1.862
local terms energy: -211.613385
where:
bonds (distance) C4'-P energy: -54.799
bonds (distance) P-C4' energy: -59.259
flat angles C4'-P-C4' energy: -41.236
flat angles P-C4'-P energy: -41.589
tors. eta vs tors. theta energy: -14.731
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: 461
Temperature: 1.300000
Total energy: -370.780576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.780576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.780576 (E_RNA)
where:
Base-Base interactions energy: -167.816
where: short stacking energy: -95.070
Base-Backbone interact. energy: -3.462
local terms energy: -199.502452
where:
bonds (distance) C4'-P energy: -48.249
bonds (distance) P-C4' energy: -61.810
flat angles C4'-P-C4' energy: -49.483
flat angles P-C4'-P energy: -37.592
tors. eta vs tors. theta energy: -2.368
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: 10, replica: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -328.358905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.358905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.358905 (E_RNA)
where:
Base-Base interactions energy: -140.569
where: short stacking energy: -88.799
Base-Backbone interact. energy: -0.127
local terms energy: -187.663091
where:
bonds (distance) C4'-P energy: -48.073
bonds (distance) P-C4' energy: -52.903
flat angles C4'-P-C4' energy: -45.621
flat angles P-C4'-P energy: -38.922
tors. eta vs tors. theta energy: -2.144
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: 8
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1056.882635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.882635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.882635 (E_RNA)
where:
Base-Base interactions energy: -730.399
where: short stacking energy: -298.983
Base-Backbone interact. energy: -2.732
local terms energy: -323.885339
where:
bonds (distance) C4'-P energy: -62.416
bonds (distance) P-C4' energy: -65.438
flat angles C4'-P-C4' energy: -71.847
flat angles P-C4'-P energy: -42.750
tors. eta vs tors. theta energy: -81.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.133 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1038.038231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.038231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.038231 (E_RNA)
where:
Base-Base interactions energy: -702.799
where: short stacking energy: -300.306
Base-Backbone interact. energy: -0.666
local terms energy: -334.573528
where:
bonds (distance) C4'-P energy: -58.607
bonds (distance) P-C4' energy: -73.909
flat angles C4'-P-C4' energy: -70.081
flat angles P-C4'-P energy: -49.089
tors. eta vs tors. theta energy: -82.888
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: 462
Temperature: 1.000000
Total energy: -1029.271019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.271019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.271019 (E_RNA)
where:
Base-Base interactions energy: -699.964
where: short stacking energy: -299.403
Base-Backbone interact. energy: -1.535
local terms energy: -327.772226
where:
bonds (distance) C4'-P energy: -53.126
bonds (distance) P-C4' energy: -67.423
flat angles C4'-P-C4' energy: -68.125
flat angles P-C4'-P energy: -49.698
tors. eta vs tors. theta energy: -89.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -926.679247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.679247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.679247 (E_RNA)
where:
Base-Base interactions energy: -617.329
where: short stacking energy: -269.271
Base-Backbone interact. energy: -0.510
local terms energy: -308.840624
where:
bonds (distance) C4'-P energy: -61.553
bonds (distance) P-C4' energy: -50.181
flat angles C4'-P-C4' energy: -67.477
flat angles P-C4'-P energy: -50.816
tors. eta vs tors. theta energy: -78.814
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: 10
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -814.885869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.885869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.885869 (E_RNA)
where:
Base-Base interactions energy: -540.090
where: short stacking energy: -252.991
Base-Backbone interact. energy: -0.514
local terms energy: -274.281986
where:
bonds (distance) C4'-P energy: -55.624
bonds (distance) P-C4' energy: -62.728
flat angles C4'-P-C4' energy: -46.647
flat angles P-C4'-P energy: -40.060
tors. eta vs tors. theta energy: -69.223
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: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -831.881021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.881021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.881021 (E_RNA)
where:
Base-Base interactions energy: -561.494
where: short stacking energy: -255.368
Base-Backbone interact. energy: -0.828
local terms energy: -271.232885
where:
bonds (distance) C4'-P energy: -51.871
bonds (distance) P-C4' energy: -57.862
flat angles C4'-P-C4' energy: -56.367
flat angles P-C4'-P energy: -36.954
tors. eta vs tors. theta energy: -68.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.674 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -708.403628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.403628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.403628 (E_RNA)
where:
Base-Base interactions energy: -448.332
where: short stacking energy: -195.092
Base-Backbone interact. energy: -1.107
local terms energy: -258.964436
where:
bonds (distance) C4'-P energy: -48.334
bonds (distance) P-C4' energy: -63.609
flat angles C4'-P-C4' energy: -63.975
flat angles P-C4'-P energy: -38.403
tors. eta vs tors. theta energy: -44.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -495.018780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.018780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.018780 (E_RNA)
where:
Base-Base interactions energy: -277.676
where: short stacking energy: -150.246
Base-Backbone interact. energy: 2.607
local terms energy: -219.949313
where:
bonds (distance) C4'-P energy: -52.741
bonds (distance) P-C4' energy: -63.248
flat angles C4'-P-C4' energy: -46.235
flat angles P-C4'-P energy: -34.339
tors. eta vs tors. theta energy: -23.386
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: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -369.020305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.020305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.020305 (E_RNA)
where:
Base-Base interactions energy: -153.171
where: short stacking energy: -107.165
Base-Backbone interact. energy: -1.594
local terms energy: -214.255795
where:
bonds (distance) C4'-P energy: -59.100
bonds (distance) P-C4' energy: -62.991
flat angles C4'-P-C4' energy: -49.096
flat angles P-C4'-P energy: -37.755
tors. eta vs tors. theta energy: -5.315
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: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -340.417046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.417046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.417046 (E_RNA)
where:
Base-Base interactions energy: -158.849
where: short stacking energy: -104.031
Base-Backbone interact. energy: -2.923
local terms energy: -178.644807
where:
bonds (distance) C4'-P energy: -46.275
bonds (distance) P-C4' energy: -50.642
flat angles C4'-P-C4' energy: -55.480
flat angles P-C4'-P energy: -26.606
tors. eta vs tors. theta energy: 0.358
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: 463
Temperature: 0.900000
Total energy: -1083.147276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.147276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.147276 (E_RNA)
where:
Base-Base interactions energy: -740.886
where: short stacking energy: -317.376
Base-Backbone interact. energy: 0.816
local terms energy: -344.359548
where:
bonds (distance) C4'-P energy: -63.271
bonds (distance) P-C4' energy: -66.443
flat angles C4'-P-C4' energy: -80.878
flat angles P-C4'-P energy: -48.992
tors. eta vs tors. theta energy: -84.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.282 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1020.600960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.600960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.600960 (E_RNA)
where:
Base-Base interactions energy: -689.932
where: short stacking energy: -306.197
Base-Backbone interact. energy: -1.354
local terms energy: -329.314583
where:
bonds (distance) C4'-P energy: -61.729
bonds (distance) P-C4' energy: -63.711
flat angles C4'-P-C4' energy: -71.307
flat angles P-C4'-P energy: -49.311
tors. eta vs tors. theta energy: -83.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1011.708143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.708143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.708143 (E_RNA)
where:
Base-Base interactions energy: -702.202
where: short stacking energy: -287.469
Base-Backbone interact. energy: -1.115
local terms energy: -308.391213
where:
bonds (distance) C4'-P energy: -53.299
bonds (distance) P-C4' energy: -64.690
flat angles C4'-P-C4' energy: -71.406
flat angles P-C4'-P energy: -43.234
tors. eta vs tors. theta energy: -75.762
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: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -923.326636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.326636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.326636 (E_RNA)
where:
Base-Base interactions energy: -639.713
where: short stacking energy: -258.714
Base-Backbone interact. energy: -0.195
local terms energy: -283.418268
where:
bonds (distance) C4'-P energy: -46.275
bonds (distance) P-C4' energy: -65.467
flat angles C4'-P-C4' energy: -56.340
flat angles P-C4'-P energy: -50.738
tors. eta vs tors. theta energy: -64.599
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: 463
Temperature: 1.100000
Total energy: -852.900698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.900698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.900698 (E_RNA)
where:
Base-Base interactions energy: -574.093
where: short stacking energy: -246.913
Base-Backbone interact. energy: 2.079
local terms energy: -280.886349
where:
bonds (distance) C4'-P energy: -63.008
bonds (distance) P-C4' energy: -65.965
flat angles C4'-P-C4' energy: -54.571
flat angles P-C4'-P energy: -34.355
tors. eta vs tors. theta energy: -62.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -827.440744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.440744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.440744 (E_RNA)
where:
Base-Base interactions energy: -563.397
where: short stacking energy: -228.615
Base-Backbone interact. energy: -1.979
local terms energy: -262.064041
where:
bonds (distance) C4'-P energy: -54.453
bonds (distance) P-C4' energy: -60.277
flat angles C4'-P-C4' energy: -65.420
flat angles P-C4'-P energy: -23.803
tors. eta vs tors. theta energy: -58.111
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: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -688.447160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.447160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.447160 (E_RNA)
where:
Base-Base interactions energy: -450.063
where: short stacking energy: -204.105
Base-Backbone interact. energy: -2.347
local terms energy: -236.036768
where:
bonds (distance) C4'-P energy: -43.269
bonds (distance) P-C4' energy: -52.230
flat angles C4'-P-C4' energy: -62.311
flat angles P-C4'-P energy: -40.912
tors. eta vs tors. theta energy: -37.315
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: 8, replica: 7
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -470.555425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.555425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.555425 (E_RNA)
where:
Base-Base interactions energy: -256.585
where: short stacking energy: -151.174
Base-Backbone interact. energy: -0.371
local terms energy: -213.599733
where:
bonds (distance) C4'-P energy: -59.329
bonds (distance) P-C4' energy: -65.354
flat angles C4'-P-C4' energy: -37.357
flat angles P-C4'-P energy: -27.452
tors. eta vs tors. theta energy: -24.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -326.953210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.953210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.953210 (E_RNA)
where:
Base-Base interactions energy: -152.737
where: short stacking energy: -83.197
Base-Backbone interact. energy: -2.032
local terms energy: -172.185056
where:
bonds (distance) C4'-P energy: -40.809
bonds (distance) P-C4' energy: -60.170
flat angles C4'-P-C4' energy: -46.096
flat angles P-C4'-P energy: -22.313
tors. eta vs tors. theta energy: -2.797
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: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -329.192860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.192860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.192860 (E_RNA)
where:
Base-Base interactions energy: -174.109
where: short stacking energy: -102.488
Base-Backbone interact. energy: -0.261
local terms energy: -154.822792
where:
bonds (distance) C4'-P energy: -39.570
bonds (distance) P-C4' energy: -44.013
flat angles C4'-P-C4' energy: -48.281
flat angles P-C4'-P energy: -23.315
tors. eta vs tors. theta energy: 0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1069.246574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.246574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.246574 (E_RNA)
where:
Base-Base interactions energy: -741.105
where: short stacking energy: -285.676
Base-Backbone interact. energy: 0.417
local terms energy: -329.080262
where:
bonds (distance) C4'-P energy: -63.779
bonds (distance) P-C4' energy: -64.609
flat angles C4'-P-C4' energy: -71.486
flat angles P-C4'-P energy: -49.693
tors. eta vs tors. theta energy: -79.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.522 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1067.913232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.913232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.913232 (E_RNA)
where:
Base-Base interactions energy: -713.525
where: short stacking energy: -316.642
Base-Backbone interact. energy: -0.966
local terms energy: -353.421515
where:
bonds (distance) C4'-P energy: -61.910
bonds (distance) P-C4' energy: -70.682
flat angles C4'-P-C4' energy: -72.719
flat angles P-C4'-P energy: -51.721
tors. eta vs tors. theta energy: -96.390
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: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -987.112490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.112490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.112490 (E_RNA)
where:
Base-Base interactions energy: -663.505
where: short stacking energy: -282.644
Base-Backbone interact. energy: -0.894
local terms energy: -322.713959
where:
bonds (distance) C4'-P energy: -62.240
bonds (distance) P-C4' energy: -66.320
flat angles C4'-P-C4' energy: -66.935
flat angles P-C4'-P energy: -44.924
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: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -923.462980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.462980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.462980 (E_RNA)
where:
Base-Base interactions energy: -599.964
where: short stacking energy: -261.947
Base-Backbone interact. energy: 0.518
local terms energy: -324.017592
where:
bonds (distance) C4'-P energy: -61.374
bonds (distance) P-C4' energy: -64.395
flat angles C4'-P-C4' energy: -72.764
flat angles P-C4'-P energy: -55.161
tors. eta vs tors. theta energy: -70.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -847.069305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.069305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.069305 (E_RNA)
where:
Base-Base interactions energy: -560.048
where: short stacking energy: -257.852
Base-Backbone interact. energy: -1.808
local terms energy: -285.213542
where:
bonds (distance) C4'-P energy: -57.751
bonds (distance) P-C4' energy: -60.970
flat angles C4'-P-C4' energy: -64.666
flat angles P-C4'-P energy: -38.193
tors. eta vs tors. theta energy: -63.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -791.663660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.663660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.663660 (E_RNA)
where:
Base-Base interactions energy: -529.224
where: short stacking energy: -231.358
Base-Backbone interact. energy: -0.795
local terms energy: -261.644443
where:
bonds (distance) C4'-P energy: -55.928
bonds (distance) P-C4' energy: -54.481
flat angles C4'-P-C4' energy: -58.904
flat angles P-C4'-P energy: -32.155
tors. eta vs tors. theta energy: -60.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -717.112953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.112953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.112953 (E_RNA)
where:
Base-Base interactions energy: -452.830
where: short stacking energy: -192.755
Base-Backbone interact. energy: -0.426
local terms energy: -265.372799
where:
bonds (distance) C4'-P energy: -54.837
bonds (distance) P-C4' energy: -63.981
flat angles C4'-P-C4' energy: -56.778
flat angles P-C4'-P energy: -40.936
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: 1.515 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -475.642786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.642786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.642786 (E_RNA)
where:
Base-Base interactions energy: -263.288
where: short stacking energy: -126.626
Base-Backbone interact. energy: -3.406
local terms energy: -208.949336
where:
bonds (distance) C4'-P energy: -49.028
bonds (distance) P-C4' energy: -63.519
flat angles C4'-P-C4' energy: -50.228
flat angles P-C4'-P energy: -32.373
tors. eta vs tors. theta energy: -13.802
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: 9, replica: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -362.210296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.210296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.210296 (E_RNA)
where:
Base-Base interactions energy: -177.590
where: short stacking energy: -108.868
Base-Backbone interact. energy: -3.244
local terms energy: -181.376019
where:
bonds (distance) C4'-P energy: -45.385
bonds (distance) P-C4' energy: -58.738
flat angles C4'-P-C4' energy: -42.933
flat angles P-C4'-P energy: -32.499
tors. eta vs tors. theta energy: -1.820
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: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -274.505305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.505305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.505305 (E_RNA)
where:
Base-Base interactions energy: -116.214
where: short stacking energy: -66.405
Base-Backbone interact. energy: -0.403
local terms energy: -157.888399
where:
bonds (distance) C4'-P energy: -43.018
bonds (distance) P-C4' energy: -57.996
flat angles C4'-P-C4' energy: -30.758
flat angles P-C4'-P energy: -33.802
tors. eta vs tors. theta energy: 7.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1085.852814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.852814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.852814 (E_RNA)
where:
Base-Base interactions energy: -753.309
where: short stacking energy: -323.629
Base-Backbone interact. energy: -2.606
local terms energy: -329.937065
where:
bonds (distance) C4'-P energy: -63.679
bonds (distance) P-C4' energy: -64.897
flat angles C4'-P-C4' energy: -69.222
flat angles P-C4'-P energy: -44.678
tors. eta vs tors. theta energy: -87.461
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: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1031.245456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.245456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.245456 (E_RNA)
where:
Base-Base interactions energy: -699.816
where: short stacking energy: -288.806
Base-Backbone interact. energy: -2.704
local terms energy: -328.724747
where:
bonds (distance) C4'-P energy: -58.129
bonds (distance) P-C4' energy: -68.027
flat angles C4'-P-C4' energy: -67.643
flat angles P-C4'-P energy: -53.694
tors. eta vs tors. theta energy: -81.232
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: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -983.419913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.419913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.419913 (E_RNA)
where:
Base-Base interactions energy: -686.105
where: short stacking energy: -298.499
Base-Backbone interact. energy: -3.007
local terms energy: -294.307132
where:
bonds (distance) C4'-P energy: -52.896
bonds (distance) P-C4' energy: -66.691
flat angles C4'-P-C4' energy: -59.767
flat angles P-C4'-P energy: -43.321
tors. eta vs tors. theta energy: -71.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -870.006990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.006990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.006990 (E_RNA)
where:
Base-Base interactions energy: -586.017
where: short stacking energy: -245.958
Base-Backbone interact. energy: -0.268
local terms energy: -283.721674
where:
bonds (distance) C4'-P energy: -62.486
bonds (distance) P-C4' energy: -61.553
flat angles C4'-P-C4' energy: -56.341
flat angles P-C4'-P energy: -40.480
tors. eta vs tors. theta energy: -62.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -863.631642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.631642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.631642 (E_RNA)
where:
Base-Base interactions energy: -595.307
where: short stacking energy: -234.068
Base-Backbone interact. energy: 1.209
local terms energy: -269.533840
where:
bonds (distance) C4'-P energy: -56.715
bonds (distance) P-C4' energy: -67.216
flat angles C4'-P-C4' energy: -57.306
flat angles P-C4'-P energy: -41.390
tors. eta vs tors. theta energy: -46.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -805.918559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.918559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.918559 (E_RNA)
where:
Base-Base interactions energy: -543.153
where: short stacking energy: -247.088
Base-Backbone interact. energy: -1.344
local terms energy: -261.421462
where:
bonds (distance) C4'-P energy: -43.545
bonds (distance) P-C4' energy: -57.861
flat angles C4'-P-C4' energy: -72.097
flat angles P-C4'-P energy: -24.531
tors. eta vs tors. theta energy: -63.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -694.997246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.997246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.997246 (E_RNA)
where:
Base-Base interactions energy: -453.360
where: short stacking energy: -213.716
Base-Backbone interact. energy: -0.769
local terms energy: -241.197593
where:
bonds (distance) C4'-P energy: -65.184
bonds (distance) P-C4' energy: -63.254
flat angles C4'-P-C4' energy: -53.474
flat angles P-C4'-P energy: -27.352
tors. eta vs tors. theta energy: -31.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.330 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -548.010958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.010958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.010958 (E_RNA)
where:
Base-Base interactions energy: -332.160
where: short stacking energy: -150.191
Base-Backbone interact. energy: 0.100
local terms energy: -215.950721
where:
bonds (distance) C4'-P energy: -51.126
bonds (distance) P-C4' energy: -58.686
flat angles C4'-P-C4' energy: -60.639
flat angles P-C4'-P energy: -31.311
tors. eta vs tors. theta energy: -14.189
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: 9, replica: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -371.258640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.258640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.258640 (E_RNA)
where:
Base-Base interactions energy: -180.442
where: short stacking energy: -83.002
Base-Backbone interact. energy: -0.509
local terms energy: -190.307586
where:
bonds (distance) C4'-P energy: -48.808
bonds (distance) P-C4' energy: -58.979
flat angles C4'-P-C4' energy: -55.430
flat angles P-C4'-P energy: -28.852
tors. eta vs tors. theta energy: 1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -277.590292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.590292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.590292 (E_RNA)
where:
Base-Base interactions energy: -107.796
where: short stacking energy: -82.017
Base-Backbone interact. energy: -1.830
local terms energy: -167.963561
where:
bonds (distance) C4'-P energy: -56.223
bonds (distance) P-C4' energy: -52.263
flat angles C4'-P-C4' energy: -32.606
flat angles P-C4'-P energy: -29.531
tors. eta vs tors. theta energy: 2.659
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: 1, replica: 8
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1107.510120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.510120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.510120 (E_RNA)
where:
Base-Base interactions energy: -767.470
where: short stacking energy: -309.810
Base-Backbone interact. energy: -0.988
local terms energy: -339.052169
where:
bonds (distance) C4'-P energy: -65.376
bonds (distance) P-C4' energy: -67.198
flat angles C4'-P-C4' energy: -74.116
flat angles P-C4'-P energy: -46.676
tors. eta vs tors. theta energy: -85.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1036.920830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.920830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.920830 (E_RNA)
where:
Base-Base interactions energy: -703.348
where: short stacking energy: -298.442
Base-Backbone interact. energy: -1.510
local terms energy: -332.062574
where:
bonds (distance) C4'-P energy: -61.577
bonds (distance) P-C4' energy: -69.018
flat angles C4'-P-C4' energy: -66.529
flat angles P-C4'-P energy: -45.755
tors. eta vs tors. theta energy: -89.183
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: 3, replica: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1021.596151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.596151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.596151 (E_RNA)
where:
Base-Base interactions energy: -699.213
where: short stacking energy: -285.929
Base-Backbone interact. energy: -0.201
local terms energy: -322.182517
where:
bonds (distance) C4'-P energy: -54.235
bonds (distance) P-C4' energy: -62.489
flat angles C4'-P-C4' energy: -70.337
flat angles P-C4'-P energy: -53.160
tors. eta vs tors. theta energy: -81.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -908.230006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.230006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.230006 (E_RNA)
where:
Base-Base interactions energy: -595.193
where: short stacking energy: -266.465
Base-Backbone interact. energy: -1.096
local terms energy: -311.941410
where:
bonds (distance) C4'-P energy: -69.657
bonds (distance) P-C4' energy: -64.915
flat angles C4'-P-C4' energy: -64.968
flat angles P-C4'-P energy: -34.081
tors. eta vs tors. theta energy: -78.321
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: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -850.134912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.134912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.134912 (E_RNA)
where:
Base-Base interactions energy: -552.975
where: short stacking energy: -220.948
Base-Backbone interact. energy: -0.737
local terms energy: -296.422220
where:
bonds (distance) C4'-P energy: -58.799
bonds (distance) P-C4' energy: -57.206
flat angles C4'-P-C4' energy: -63.205
flat angles P-C4'-P energy: -48.960
tors. eta vs tors. theta energy: -68.251
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: 9
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -773.946738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.946738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.946738 (E_RNA)
where:
Base-Base interactions energy: -496.453
where: short stacking energy: -216.385
Base-Backbone interact. energy: 1.001
local terms energy: -278.495431
where:
bonds (distance) C4'-P energy: -61.741
bonds (distance) P-C4' energy: -51.578
flat angles C4'-P-C4' energy: -69.965
flat angles P-C4'-P energy: -47.342
tors. eta vs tors. theta energy: -47.869
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: 7, replica: 5
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -726.099289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.099289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.099289 (E_RNA)
where:
Base-Base interactions energy: -451.795
where: short stacking energy: -218.677
Base-Backbone interact. energy: 0.499
local terms energy: -274.802805
where:
bonds (distance) C4'-P energy: -70.864
bonds (distance) P-C4' energy: -54.076
flat angles C4'-P-C4' energy: -53.038
flat angles P-C4'-P energy: -41.582
tors. eta vs tors. theta energy: -55.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -533.760190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.760190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.760190 (E_RNA)
where:
Base-Base interactions energy: -316.839
where: short stacking energy: -154.258
Base-Backbone interact. energy: -1.511
local terms energy: -215.409593
where:
bonds (distance) C4'-P energy: -56.731
bonds (distance) P-C4' energy: -51.697
flat angles C4'-P-C4' energy: -54.516
flat angles P-C4'-P energy: -31.937
tors. eta vs tors. theta energy: -20.529
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: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -277.241077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.241077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.241077 (E_RNA)
where:
Base-Base interactions energy: -94.137
where: short stacking energy: -85.460
Base-Backbone interact. energy: -1.373
local terms energy: -181.730699
where:
bonds (distance) C4'-P energy: -46.870
bonds (distance) P-C4' energy: -54.046
flat angles C4'-P-C4' energy: -47.669
flat angles P-C4'-P energy: -41.702
tors. eta vs tors. theta energy: 8.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -338.953466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.953466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.953466 (E_RNA)
where:
Base-Base interactions energy: -160.464
where: short stacking energy: -102.576
Base-Backbone interact. energy: -1.851
local terms energy: -176.638330
where:
bonds (distance) C4'-P energy: -48.941
bonds (distance) P-C4' energy: -50.701
flat angles C4'-P-C4' energy: -49.141
flat angles P-C4'-P energy: -26.459
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: 1, replica: 8
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1103.043885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.043885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.043885 (E_RNA)
where:
Base-Base interactions energy: -759.579
where: short stacking energy: -314.088
Base-Backbone interact. energy: -0.858
local terms energy: -342.606062
where:
bonds (distance) C4'-P energy: -73.495
bonds (distance) P-C4' energy: -58.997
flat angles C4'-P-C4' energy: -71.054
flat angles P-C4'-P energy: -53.297
tors. eta vs tors. theta energy: -85.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1029.170656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.170656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.170656 (E_RNA)
where:
Base-Base interactions energy: -700.896
where: short stacking energy: -277.586
Base-Backbone interact. energy: -0.421
local terms energy: -327.853094
where:
bonds (distance) C4'-P energy: -66.531
bonds (distance) P-C4' energy: -64.843
flat angles C4'-P-C4' energy: -66.780
flat angles P-C4'-P energy: -52.715
tors. eta vs tors. theta energy: -76.984
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: 3, replica: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -972.125178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.125178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.125178 (E_RNA)
where:
Base-Base interactions energy: -635.517
where: short stacking energy: -289.112
Base-Backbone interact. energy: -2.006
local terms energy: -334.602335
where:
bonds (distance) C4'-P energy: -64.026
bonds (distance) P-C4' energy: -59.026
flat angles C4'-P-C4' energy: -70.970
flat angles P-C4'-P energy: -53.581
tors. eta vs tors. theta energy: -86.999
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: 10
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -896.072770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.072770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.072770 (E_RNA)
where:
Base-Base interactions energy: -578.530
where: short stacking energy: -264.285
Base-Backbone interact. energy: -2.222
local terms energy: -315.321056
where:
bonds (distance) C4'-P energy: -57.958
bonds (distance) P-C4' energy: -58.539
flat angles C4'-P-C4' energy: -65.992
flat angles P-C4'-P energy: -52.425
tors. eta vs tors. theta energy: -80.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -845.096595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.096595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.096595 (E_RNA)
where:
Base-Base interactions energy: -547.062
where: short stacking energy: -235.457
Base-Backbone interact. energy: -0.428
local terms energy: -297.606420
where:
bonds (distance) C4'-P energy: -61.256
bonds (distance) P-C4' energy: -66.975
flat angles C4'-P-C4' energy: -58.011
flat angles P-C4'-P energy: -52.854
tors. eta vs tors. theta energy: -58.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -807.563838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.563838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.563838 (E_RNA)
where:
Base-Base interactions energy: -537.503
where: short stacking energy: -245.061
Base-Backbone interact. energy: -1.913
local terms energy: -268.148056
where:
bonds (distance) C4'-P energy: -44.065
bonds (distance) P-C4' energy: -68.788
flat angles C4'-P-C4' energy: -66.798
flat angles P-C4'-P energy: -39.060
tors. eta vs tors. theta energy: -49.438
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: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -658.720820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.720820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.720820 (E_RNA)
where:
Base-Base interactions energy: -429.911
where: short stacking energy: -176.998
Base-Backbone interact. energy: -2.357
local terms energy: -226.452454
where:
bonds (distance) C4'-P energy: -49.698
bonds (distance) P-C4' energy: -47.726
flat angles C4'-P-C4' energy: -57.433
flat angles P-C4'-P energy: -39.903
tors. eta vs tors. theta energy: -31.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -545.312343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.312343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.312343 (E_RNA)
where:
Base-Base interactions energy: -331.143
where: short stacking energy: -142.699
Base-Backbone interact. energy: -2.307
local terms energy: -211.862490
where:
bonds (distance) C4'-P energy: -54.127
bonds (distance) P-C4' energy: -56.972
flat angles C4'-P-C4' energy: -49.067
flat angles P-C4'-P energy: -35.923
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -275.210436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.210436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.210436 (E_RNA)
where:
Base-Base interactions energy: -109.845
where: short stacking energy: -89.048
Base-Backbone interact. energy: -0.453
local terms energy: -164.912926
where:
bonds (distance) C4'-P energy: -47.073
bonds (distance) P-C4' energy: -45.664
flat angles C4'-P-C4' energy: -58.490
flat angles P-C4'-P energy: -26.615
tors. eta vs tors. theta energy: 12.930
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: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -337.492400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.492400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.492400 (E_RNA)
where:
Base-Base interactions energy: -167.147
where: short stacking energy: -108.002
Base-Backbone interact. energy: -1.700
local terms energy: -168.645625
where:
bonds (distance) C4'-P energy: -37.686
bonds (distance) P-C4' energy: -42.936
flat angles C4'-P-C4' energy: -54.369
flat angles P-C4'-P energy: -28.082
tors. eta vs tors. theta energy: -5.572
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: 8
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1093.329140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.329140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.329140 (E_RNA)
where:
Base-Base interactions energy: -757.312
where: short stacking energy: -316.934
Base-Backbone interact. energy: -2.486
local terms energy: -333.531823
where:
bonds (distance) C4'-P energy: -61.919
bonds (distance) P-C4' energy: -65.146
flat angles C4'-P-C4' energy: -77.413
flat angles P-C4'-P energy: -47.199
tors. eta vs tors. theta energy: -81.854
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: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1015.388581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.388581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.388581 (E_RNA)
where:
Base-Base interactions energy: -687.045
where: short stacking energy: -289.706
Base-Backbone interact. energy: 0.479
local terms energy: -328.822574
where:
bonds (distance) C4'-P energy: -58.308
bonds (distance) P-C4' energy: -65.339
flat angles C4'-P-C4' energy: -69.411
flat angles P-C4'-P energy: -46.028
tors. eta vs tors. theta energy: -89.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -984.064099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.064099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.064099 (E_RNA)
where:
Base-Base interactions energy: -671.000
where: short stacking energy: -293.696
Base-Backbone interact. energy: -1.423
local terms energy: -311.641108
where:
bonds (distance) C4'-P energy: -58.489
bonds (distance) P-C4' energy: -64.978
flat angles C4'-P-C4' energy: -63.422
flat angles P-C4'-P energy: -40.361
tors. eta vs tors. theta energy: -84.392
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: 10
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -907.449011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.449011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.449011 (E_RNA)
where:
Base-Base interactions energy: -589.648
where: short stacking energy: -275.542
Base-Backbone interact. energy: -0.453
local terms energy: -317.347930
where:
bonds (distance) C4'-P energy: -63.080
bonds (distance) P-C4' energy: -67.060
flat angles C4'-P-C4' energy: -70.569
flat angles P-C4'-P energy: -39.951
tors. eta vs tors. theta energy: -76.687
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: 468
Temperature: 1.100000
Total energy: -819.095411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.095411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.095411 (E_RNA)
where:
Base-Base interactions energy: -545.137
where: short stacking energy: -231.101
Base-Backbone interact. energy: -0.356
local terms energy: -273.602304
where:
bonds (distance) C4'-P energy: -57.089
bonds (distance) P-C4' energy: -51.264
flat angles C4'-P-C4' energy: -65.576
flat angles P-C4'-P energy: -41.272
tors. eta vs tors. theta energy: -58.401
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: 468
Temperature: 1.150000
Total energy: -781.871810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.871810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.871810 (E_RNA)
where:
Base-Base interactions energy: -499.236
where: short stacking energy: -212.679
Base-Backbone interact. energy: -1.045
local terms energy: -281.591363
where:
bonds (distance) C4'-P energy: -60.436
bonds (distance) P-C4' energy: -54.591
flat angles C4'-P-C4' energy: -66.117
flat angles P-C4'-P energy: -43.092
tors. eta vs tors. theta energy: -57.357
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: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -704.600097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.600097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.600097 (E_RNA)
where:
Base-Base interactions energy: -445.686
where: short stacking energy: -183.392
Base-Backbone interact. energy: -1.641
local terms energy: -257.273779
where:
bonds (distance) C4'-P energy: -55.908
bonds (distance) P-C4' energy: -54.054
flat angles C4'-P-C4' energy: -65.772
flat angles P-C4'-P energy: -38.608
tors. eta vs tors. theta energy: -42.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -577.705233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.705233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.705233 (E_RNA)
where:
Base-Base interactions energy: -334.978
where: short stacking energy: -149.405
Base-Backbone interact. energy: -0.846
local terms energy: -241.881701
where:
bonds (distance) C4'-P energy: -51.889
bonds (distance) P-C4' energy: -56.021
flat angles C4'-P-C4' energy: -60.446
flat angles P-C4'-P energy: -41.330
tors. eta vs tors. theta energy: -32.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -361.993309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.993309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.993309 (E_RNA)
where:
Base-Base interactions energy: -161.478
where: short stacking energy: -113.922
Base-Backbone interact. energy: 0.000
local terms energy: -200.515547
where:
bonds (distance) C4'-P energy: -45.924
bonds (distance) P-C4' energy: -58.496
flat angles C4'-P-C4' energy: -55.586
flat angles P-C4'-P energy: -24.921
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -276.935636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.935636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.935636 (E_RNA)
where:
Base-Base interactions energy: -94.226
where: short stacking energy: -71.318
Base-Backbone interact. energy: 1.265
local terms energy: -183.974573
where:
bonds (distance) C4'-P energy: -55.178
bonds (distance) P-C4' energy: -58.028
flat angles C4'-P-C4' energy: -49.236
flat angles P-C4'-P energy: -29.049
tors. eta vs tors. theta energy: 7.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1082.189453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.189453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.189453 (E_RNA)
where:
Base-Base interactions energy: -758.852
where: short stacking energy: -313.859
Base-Backbone interact. energy: -2.572
local terms energy: -320.765509
where:
bonds (distance) C4'-P energy: -72.055
bonds (distance) P-C4' energy: -55.163
flat angles C4'-P-C4' energy: -72.484
flat angles P-C4'-P energy: -38.091
tors. eta vs tors. theta energy: -82.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1034.221903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.221903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.221903 (E_RNA)
where:
Base-Base interactions energy: -717.120
where: short stacking energy: -289.297
Base-Backbone interact. energy: -1.685
local terms energy: -315.417010
where:
bonds (distance) C4'-P energy: -57.991
bonds (distance) P-C4' energy: -62.163
flat angles C4'-P-C4' energy: -65.405
flat angles P-C4'-P energy: -44.093
tors. eta vs tors. theta energy: -85.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -958.028485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.028485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.028485 (E_RNA)
where:
Base-Base interactions energy: -647.542
where: short stacking energy: -277.212
Base-Backbone interact. energy: -2.330
local terms energy: -308.616557
where:
bonds (distance) C4'-P energy: -58.858
bonds (distance) P-C4' energy: -60.076
flat angles C4'-P-C4' energy: -70.143
flat angles P-C4'-P energy: -40.791
tors. eta vs tors. theta energy: -78.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.461 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -939.629192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.629192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.629192 (E_RNA)
where:
Base-Base interactions energy: -635.991
where: short stacking energy: -274.746
Base-Backbone interact. energy: -0.845
local terms energy: -302.793282
where:
bonds (distance) C4'-P energy: -71.110
bonds (distance) P-C4' energy: -60.222
flat angles C4'-P-C4' energy: -63.696
flat angles P-C4'-P energy: -30.771
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: 5, replica: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -870.717863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.717863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.717863 (E_RNA)
where:
Base-Base interactions energy: -599.122
where: short stacking energy: -243.019
Base-Backbone interact. energy: -1.135
local terms energy: -270.461440
where:
bonds (distance) C4'-P energy: -58.806
bonds (distance) P-C4' energy: -66.684
flat angles C4'-P-C4' energy: -57.202
flat angles P-C4'-P energy: -36.244
tors. eta vs tors. theta energy: -51.526
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: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -753.889992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.889992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.889992 (E_RNA)
where:
Base-Base interactions energy: -493.567
where: short stacking energy: -215.823
Base-Backbone interact. energy: -1.288
local terms energy: -259.034672
where:
bonds (distance) C4'-P energy: -65.905
bonds (distance) P-C4' energy: -58.631
flat angles C4'-P-C4' energy: -57.487
flat angles P-C4'-P energy: -24.962
tors. eta vs tors. theta energy: -52.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -765.822054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.822054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.822054 (E_RNA)
where:
Base-Base interactions energy: -521.603
where: short stacking energy: -204.948
Base-Backbone interact. energy: -1.791
local terms energy: -242.427722
where:
bonds (distance) C4'-P energy: -54.036
bonds (distance) P-C4' energy: -55.776
flat angles C4'-P-C4' energy: -56.693
flat angles P-C4'-P energy: -36.305
tors. eta vs tors. theta energy: -39.617
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: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -584.587949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.587949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.587949 (E_RNA)
where:
Base-Base interactions energy: -356.069
where: short stacking energy: -165.988
Base-Backbone interact. energy: 0.182
local terms energy: -228.700572
where:
bonds (distance) C4'-P energy: -58.245
bonds (distance) P-C4' energy: -50.723
flat angles C4'-P-C4' energy: -42.889
flat angles P-C4'-P energy: -41.179
tors. eta vs tors. theta energy: -35.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -377.217947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.217947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.217947 (E_RNA)
where:
Base-Base interactions energy: -180.388
where: short stacking energy: -103.288
Base-Backbone interact. energy: -0.958
local terms energy: -195.871859
where:
bonds (distance) C4'-P energy: -59.632
bonds (distance) P-C4' energy: -55.677
flat angles C4'-P-C4' energy: -55.103
flat angles P-C4'-P energy: -19.262
tors. eta vs tors. theta energy: -6.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -277.485177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.485177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.485177 (E_RNA)
where:
Base-Base interactions energy: -111.233
where: short stacking energy: -91.834
Base-Backbone interact. energy: 6.187
local terms energy: -172.439116
where:
bonds (distance) C4'-P energy: -52.922
bonds (distance) P-C4' energy: -49.730
flat angles C4'-P-C4' energy: -41.023
flat angles P-C4'-P energy: -26.824
tors. eta vs tors. theta energy: -1.940
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: 1, replica: 8
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1069.771829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.771829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.771829 (E_RNA)
where:
Base-Base interactions energy: -727.889
where: short stacking energy: -305.076
Base-Backbone interact. energy: -1.053
local terms energy: -340.829808
where:
bonds (distance) C4'-P energy: -60.855
bonds (distance) P-C4' energy: -68.737
flat angles C4'-P-C4' energy: -75.551
flat angles P-C4'-P energy: -50.168
tors. eta vs tors. theta energy: -85.518
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: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1019.363781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.363781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.363781 (E_RNA)
where:
Base-Base interactions energy: -696.258
where: short stacking energy: -281.058
Base-Backbone interact. energy: -3.049
local terms energy: -320.056963
where:
bonds (distance) C4'-P energy: -66.677
bonds (distance) P-C4' energy: -62.369
flat angles C4'-P-C4' energy: -66.538
flat angles P-C4'-P energy: -49.869
tors. eta vs tors. theta energy: -74.604
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: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -979.964848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.964848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.964848 (E_RNA)
where:
Base-Base interactions energy: -685.719
where: short stacking energy: -289.543
Base-Backbone interact. energy: -1.917
local terms energy: -292.329433
where:
bonds (distance) C4'-P energy: -64.812
bonds (distance) P-C4' energy: -52.924
flat angles C4'-P-C4' energy: -53.175
flat angles P-C4'-P energy: -45.193
tors. eta vs tors. theta energy: -76.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -900.336741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.336741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.336741 (E_RNA)
where:
Base-Base interactions energy: -589.995
where: short stacking energy: -257.191
Base-Backbone interact. energy: 3.405
local terms energy: -313.746459
where:
bonds (distance) C4'-P energy: -71.788
bonds (distance) P-C4' energy: -55.317
flat angles C4'-P-C4' energy: -56.555
flat angles P-C4'-P energy: -53.733
tors. eta vs tors. theta energy: -76.354
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: 470
Temperature: 1.100000
Total energy: -898.339414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.339414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.339414 (E_RNA)
where:
Base-Base interactions energy: -602.939
where: short stacking energy: -242.714
Base-Backbone interact. energy: -0.856
local terms energy: -294.544471
where:
bonds (distance) C4'-P energy: -62.192
bonds (distance) P-C4' energy: -60.999
flat angles C4'-P-C4' energy: -60.516
flat angles P-C4'-P energy: -51.596
tors. eta vs tors. theta energy: -59.242
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: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -800.459644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.459644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.459644 (E_RNA)
where:
Base-Base interactions energy: -502.492
where: short stacking energy: -242.196
Base-Backbone interact. energy: -1.399
local terms energy: -296.568553
where:
bonds (distance) C4'-P energy: -58.720
bonds (distance) P-C4' energy: -63.442
flat angles C4'-P-C4' energy: -72.607
flat angles P-C4'-P energy: -33.232
tors. eta vs tors. theta energy: -68.568
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: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -767.158439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.158439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.158439 (E_RNA)
where:
Base-Base interactions energy: -513.283
where: short stacking energy: -220.798
Base-Backbone interact. energy: 0.461
local terms energy: -254.336380
where:
bonds (distance) C4'-P energy: -59.870
bonds (distance) P-C4' energy: -43.869
flat angles C4'-P-C4' energy: -59.459
flat angles P-C4'-P energy: -36.052
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: 8, replica: 7
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -562.954745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.954745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.954745 (E_RNA)
where:
Base-Base interactions energy: -336.154
where: short stacking energy: -134.260
Base-Backbone interact. energy: -1.196
local terms energy: -225.605263
where:
bonds (distance) C4'-P energy: -58.465
bonds (distance) P-C4' energy: -58.003
flat angles C4'-P-C4' energy: -53.758
flat angles P-C4'-P energy: -40.261
tors. eta vs tors. theta energy: -15.118
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: 3
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -417.321755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.321755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.321755 (E_RNA)
where:
Base-Base interactions energy: -217.194
where: short stacking energy: -122.737
Base-Backbone interact. energy: -0.571
local terms energy: -199.556176
where:
bonds (distance) C4'-P energy: -54.293
bonds (distance) P-C4' energy: -53.563
flat angles C4'-P-C4' energy: -46.352
flat angles P-C4'-P energy: -39.360
tors. eta vs tors. theta energy: -5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -265.082067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.082067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.082067 (E_RNA)
where:
Base-Base interactions energy: -103.698
where: short stacking energy: -89.985
Base-Backbone interact. energy: 0.225
local terms energy: -161.608559
where:
bonds (distance) C4'-P energy: -50.905
bonds (distance) P-C4' energy: -56.205
flat angles C4'-P-C4' energy: -42.966
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: 1.644
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: 1, replica: 8
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1077.802722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.802722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.802722 (E_RNA)
where:
Base-Base interactions energy: -746.982
where: short stacking energy: -303.167
Base-Backbone interact. energy: -1.302
local terms energy: -329.518940
where:
bonds (distance) C4'-P energy: -63.615
bonds (distance) P-C4' energy: -72.063
flat angles C4'-P-C4' energy: -68.993
flat angles P-C4'-P energy: -46.216
tors. eta vs tors. theta energy: -78.633
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: 471
Temperature: 0.950000
Total energy: -1005.641737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.641737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.641737 (E_RNA)
where:
Base-Base interactions energy: -680.989
where: short stacking energy: -320.355
Base-Backbone interact. energy: -3.132
local terms energy: -321.520711
where:
bonds (distance) C4'-P energy: -52.756
bonds (distance) P-C4' energy: -60.241
flat angles C4'-P-C4' energy: -74.726
flat angles P-C4'-P energy: -48.809
tors. eta vs tors. theta energy: -84.989
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: 3, replica: 4
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -991.533790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.533790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.533790 (E_RNA)
where:
Base-Base interactions energy: -686.343
where: short stacking energy: -284.779
Base-Backbone interact. energy: -2.760
local terms energy: -302.430945
where:
bonds (distance) C4'-P energy: -58.746
bonds (distance) P-C4' energy: -51.791
flat angles C4'-P-C4' energy: -72.991
flat angles P-C4'-P energy: -38.859
tors. eta vs tors. theta energy: -80.044
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: 9
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -934.409703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.409703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.409703 (E_RNA)
where:
Base-Base interactions energy: -622.422
where: short stacking energy: -272.601
Base-Backbone interact. energy: -1.887
local terms energy: -310.100869
where:
bonds (distance) C4'-P energy: -61.310
bonds (distance) P-C4' energy: -46.799
flat angles C4'-P-C4' energy: -69.865
flat angles P-C4'-P energy: -51.249
tors. eta vs tors. theta energy: -80.877
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: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -867.807187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.807187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.807187 (E_RNA)
where:
Base-Base interactions energy: -596.695
where: short stacking energy: -271.322
Base-Backbone interact. energy: 0.169
local terms energy: -271.280665
where:
bonds (distance) C4'-P energy: -49.627
bonds (distance) P-C4' energy: -45.799
flat angles C4'-P-C4' energy: -65.934
flat angles P-C4'-P energy: -37.461
tors. eta vs tors. theta energy: -72.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -737.657027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.657027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.657027 (E_RNA)
where:
Base-Base interactions energy: -473.249
where: short stacking energy: -228.889
Base-Backbone interact. energy: 2.247
local terms energy: -266.655370
where:
bonds (distance) C4'-P energy: -57.328
bonds (distance) P-C4' energy: -55.461
flat angles C4'-P-C4' energy: -54.426
flat angles P-C4'-P energy: -38.781
tors. eta vs tors. theta energy: -60.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -761.414301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.414301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.414301 (E_RNA)
where:
Base-Base interactions energy: -509.710
where: short stacking energy: -210.862
Base-Backbone interact. energy: 6.525
local terms energy: -258.229075
where:
bonds (distance) C4'-P energy: -58.409
bonds (distance) P-C4' energy: -58.073
flat angles C4'-P-C4' energy: -53.988
flat angles P-C4'-P energy: -33.823
tors. eta vs tors. theta energy: -53.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -591.906042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.906042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.906042 (E_RNA)
where:
Base-Base interactions energy: -360.971
where: short stacking energy: -183.922
Base-Backbone interact. energy: 0.755
local terms energy: -232.342568
where:
bonds (distance) C4'-P energy: -58.322
bonds (distance) P-C4' energy: -66.552
flat angles C4'-P-C4' energy: -56.161
flat angles P-C4'-P energy: -32.633
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.653 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -347.030848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.030848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.030848 (E_RNA)
where:
Base-Base interactions energy: -165.631
where: short stacking energy: -120.716
Base-Backbone interact. energy: -0.857
local terms energy: -180.543002
where:
bonds (distance) C4'-P energy: -50.599
bonds (distance) P-C4' energy: -55.110
flat angles C4'-P-C4' energy: -39.352
flat angles P-C4'-P energy: -28.058
tors. eta vs tors. theta energy: -7.424
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: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -265.140921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.140921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.140921 (E_RNA)
where:
Base-Base interactions energy: -93.448
where: short stacking energy: -54.413
Base-Backbone interact. energy: 3.586
local terms energy: -175.279372
where:
bonds (distance) C4'-P energy: -55.074
bonds (distance) P-C4' energy: -52.256
flat angles C4'-P-C4' energy: -56.423
flat angles P-C4'-P energy: -31.856
tors. eta vs tors. theta energy: 20.329
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: 8
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1072.632430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.632430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.632430 (E_RNA)
where:
Base-Base interactions energy: -741.472
where: short stacking energy: -316.204
Base-Backbone interact. energy: -5.862
local terms energy: -325.298352
where:
bonds (distance) C4'-P energy: -60.196
bonds (distance) P-C4' energy: -65.040
flat angles C4'-P-C4' energy: -66.486
flat angles P-C4'-P energy: -49.409
tors. eta vs tors. theta energy: -84.168
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: 472
Temperature: 0.950000
Total energy: -1017.886023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.886023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.886023 (E_RNA)
where:
Base-Base interactions energy: -706.092
where: short stacking energy: -298.659
Base-Backbone interact. energy: -5.002
local terms energy: -306.791493
where:
bonds (distance) C4'-P energy: -66.938
bonds (distance) P-C4' energy: -60.259
flat angles C4'-P-C4' energy: -64.807
flat angles P-C4'-P energy: -33.808
tors. eta vs tors. theta energy: -80.980
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: 472
Temperature: 1.000000
Total energy: -1001.191394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.191394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.191394 (E_RNA)
where:
Base-Base interactions energy: -683.008
where: short stacking energy: -320.380
Base-Backbone interact. energy: 2.481
local terms energy: -320.664467
where:
bonds (distance) C4'-P energy: -64.190
bonds (distance) P-C4' energy: -61.342
flat angles C4'-P-C4' energy: -70.622
flat angles P-C4'-P energy: -38.056
tors. eta vs tors. theta energy: -86.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -910.683023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.683023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.683023 (E_RNA)
where:
Base-Base interactions energy: -617.481
where: short stacking energy: -274.515
Base-Backbone interact. energy: -1.039
local terms energy: -292.163459
where:
bonds (distance) C4'-P energy: -56.788
bonds (distance) P-C4' energy: -51.724
flat angles C4'-P-C4' energy: -65.682
flat angles P-C4'-P energy: -39.310
tors. eta vs tors. theta energy: -78.660
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: 5, replica: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -888.777912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.777912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.777912 (E_RNA)
where:
Base-Base interactions energy: -600.163
where: short stacking energy: -269.223
Base-Backbone interact. energy: -1.017
local terms energy: -287.598371
where:
bonds (distance) C4'-P energy: -51.576
bonds (distance) P-C4' energy: -59.107
flat angles C4'-P-C4' energy: -65.734
flat angles P-C4'-P energy: -36.521
tors. eta vs tors. theta energy: -74.659
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: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -755.616393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.616393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.616393 (E_RNA)
where:
Base-Base interactions energy: -478.862
where: short stacking energy: -229.560
Base-Backbone interact. energy: -0.786
local terms energy: -275.968317
where:
bonds (distance) C4'-P energy: -65.645
bonds (distance) P-C4' energy: -54.452
flat angles C4'-P-C4' energy: -60.230
flat angles P-C4'-P energy: -34.955
tors. eta vs tors. theta energy: -60.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -777.527957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.527957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.527957 (E_RNA)
where:
Base-Base interactions energy: -513.812
where: short stacking energy: -224.183
Base-Backbone interact. energy: 1.422
local terms energy: -265.138381
where:
bonds (distance) C4'-P energy: -42.108
bonds (distance) P-C4' energy: -50.502
flat angles C4'-P-C4' energy: -63.173
flat angles P-C4'-P energy: -46.065
tors. eta vs tors. theta energy: -63.291
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: 8, replica: 7
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -610.295930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.295930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.295930 (E_RNA)
where:
Base-Base interactions energy: -368.145
where: short stacking energy: -158.307
Base-Backbone interact. energy: 1.133
local terms energy: -243.283362
where:
bonds (distance) C4'-P energy: -63.517
bonds (distance) P-C4' energy: -62.516
flat angles C4'-P-C4' energy: -55.219
flat angles P-C4'-P energy: -34.120
tors. eta vs tors. theta energy: -27.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -436.346363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.346363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.346363 (E_RNA)
where:
Base-Base interactions energy: -248.403
where: short stacking energy: -128.472
Base-Backbone interact. energy: -1.160
local terms energy: -186.783479
where:
bonds (distance) C4'-P energy: -54.509
bonds (distance) P-C4' energy: -36.218
flat angles C4'-P-C4' energy: -43.660
flat angles P-C4'-P energy: -30.517
tors. eta vs tors. theta energy: -21.880
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: 10, replica: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -263.597325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.597325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.597325 (E_RNA)
where:
Base-Base interactions energy: -93.901
where: short stacking energy: -72.014
Base-Backbone interact. energy: 2.851
local terms energy: -173.265792
where:
bonds (distance) C4'-P energy: -50.024
bonds (distance) P-C4' energy: -65.890
flat angles C4'-P-C4' energy: -28.825
flat angles P-C4'-P energy: -30.982
tors. eta vs tors. theta energy: 2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.718 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1083.893438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.893438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.893438 (E_RNA)
where:
Base-Base interactions energy: -747.843
where: short stacking energy: -328.480
Base-Backbone interact. energy: -2.728
local terms energy: -333.321844
where:
bonds (distance) C4'-P energy: -66.050
bonds (distance) P-C4' energy: -69.507
flat angles C4'-P-C4' energy: -67.934
flat angles P-C4'-P energy: -40.936
tors. eta vs tors. theta energy: -88.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1032.951761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.951761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.951761 (E_RNA)
where:
Base-Base interactions energy: -696.607
where: short stacking energy: -300.698
Base-Backbone interact. energy: -1.357
local terms energy: -334.986874
where:
bonds (distance) C4'-P energy: -60.231
bonds (distance) P-C4' energy: -72.406
flat angles C4'-P-C4' energy: -76.887
flat angles P-C4'-P energy: -50.785
tors. eta vs tors. theta energy: -74.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -998.147234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.147234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.147234 (E_RNA)
where:
Base-Base interactions energy: -674.709
where: short stacking energy: -286.773
Base-Backbone interact. energy: -0.951
local terms energy: -322.486857
where:
bonds (distance) C4'-P energy: -56.839
bonds (distance) P-C4' energy: -61.869
flat angles C4'-P-C4' energy: -74.217
flat angles P-C4'-P energy: -45.201
tors. eta vs tors. theta energy: -84.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -912.990623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.990623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.990623 (E_RNA)
where:
Base-Base interactions energy: -624.999
where: short stacking energy: -270.445
Base-Backbone interact. energy: 2.534
local terms energy: -290.525069
where:
bonds (distance) C4'-P energy: -58.235
bonds (distance) P-C4' energy: -59.375
flat angles C4'-P-C4' energy: -63.075
flat angles P-C4'-P energy: -40.680
tors. eta vs tors. theta energy: -69.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -895.091021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.091021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.091021 (E_RNA)
where:
Base-Base interactions energy: -598.534
where: short stacking energy: -266.543
Base-Backbone interact. energy: -2.949
local terms energy: -293.608059
where:
bonds (distance) C4'-P energy: -54.653
bonds (distance) P-C4' energy: -55.804
flat angles C4'-P-C4' energy: -69.739
flat angles P-C4'-P energy: -41.139
tors. eta vs tors. theta energy: -72.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -731.825060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.825060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.825060 (E_RNA)
where:
Base-Base interactions energy: -465.948
where: short stacking energy: -212.978
Base-Backbone interact. energy: -1.050
local terms energy: -264.827408
where:
bonds (distance) C4'-P energy: -58.557
bonds (distance) P-C4' energy: -58.521
flat angles C4'-P-C4' energy: -66.773
flat angles P-C4'-P energy: -37.403
tors. eta vs tors. theta energy: -43.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -756.341349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.341349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.341349 (E_RNA)
where:
Base-Base interactions energy: -510.344
where: short stacking energy: -209.576
Base-Backbone interact. energy: 1.035
local terms energy: -248.101584
where:
bonds (distance) C4'-P energy: -46.367
bonds (distance) P-C4' energy: -63.315
flat angles C4'-P-C4' energy: -53.897
flat angles P-C4'-P energy: -38.464
tors. eta vs tors. theta energy: -46.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.069 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -628.372676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.372676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.372676 (E_RNA)
where:
Base-Base interactions energy: -390.170
where: short stacking energy: -171.807
Base-Backbone interact. energy: -0.679
local terms energy: -237.523861
where:
bonds (distance) C4'-P energy: -57.069
bonds (distance) P-C4' energy: -55.404
flat angles C4'-P-C4' energy: -45.180
flat angles P-C4'-P energy: -37.693
tors. eta vs tors. theta energy: -42.179
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: 9, replica: 3
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -477.666714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.666714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.666714 (E_RNA)
where:
Base-Base interactions energy: -269.810
where: short stacking energy: -142.469
Base-Backbone interact. energy: -1.219
local terms energy: -206.637026
where:
bonds (distance) C4'-P energy: -55.515
bonds (distance) P-C4' energy: -61.318
flat angles C4'-P-C4' energy: -47.430
flat angles P-C4'-P energy: -20.904
tors. eta vs tors. theta energy: -21.471
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: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -305.749171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.749171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.749171 (E_RNA)
where:
Base-Base interactions energy: -127.136
where: short stacking energy: -84.192
Base-Backbone interact. energy: 0.380
local terms energy: -178.993027
where:
bonds (distance) C4'-P energy: -46.989
bonds (distance) P-C4' energy: -56.780
flat angles C4'-P-C4' energy: -44.644
flat angles P-C4'-P energy: -32.965
tors. eta vs tors. theta energy: 2.386
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: 8
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1093.732220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.732220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.732220 (E_RNA)
where:
Base-Base interactions energy: -752.902
where: short stacking energy: -330.560
Base-Backbone interact. energy: -2.618
local terms energy: -338.212443
where:
bonds (distance) C4'-P energy: -63.295
bonds (distance) P-C4' energy: -63.565
flat angles C4'-P-C4' energy: -76.737
flat angles P-C4'-P energy: -45.194
tors. eta vs tors. theta energy: -89.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1032.351510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.351510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.351510 (E_RNA)
where:
Base-Base interactions energy: -707.458
where: short stacking energy: -308.292
Base-Backbone interact. energy: -0.046
local terms energy: -324.847844
where:
bonds (distance) C4'-P energy: -53.243
bonds (distance) P-C4' energy: -68.540
flat angles C4'-P-C4' energy: -75.742
flat angles P-C4'-P energy: -41.327
tors. eta vs tors. theta energy: -85.996
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: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1024.783023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.783023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.783023 (E_RNA)
where:
Base-Base interactions energy: -699.569
where: short stacking energy: -298.266
Base-Backbone interact. energy: -2.183
local terms energy: -323.030947
where:
bonds (distance) C4'-P energy: -51.943
bonds (distance) P-C4' energy: -74.450
flat angles C4'-P-C4' energy: -71.641
flat angles P-C4'-P energy: -47.028
tors. eta vs tors. theta energy: -77.968
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: 4, replica: 10
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -928.614303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.614303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.614303 (E_RNA)
where:
Base-Base interactions energy: -623.327
where: short stacking energy: -271.708
Base-Backbone interact. energy: -0.594
local terms energy: -304.693972
where:
bonds (distance) C4'-P energy: -55.975
bonds (distance) P-C4' energy: -73.093
flat angles C4'-P-C4' energy: -51.471
flat angles P-C4'-P energy: -47.755
tors. eta vs tors. theta energy: -76.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -853.874000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.874000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.874000 (E_RNA)
where:
Base-Base interactions energy: -583.533
where: short stacking energy: -244.701
Base-Backbone interact. energy: -1.746
local terms energy: -268.594941
where:
bonds (distance) C4'-P energy: -56.893
bonds (distance) P-C4' energy: -57.004
flat angles C4'-P-C4' energy: -64.146
flat angles P-C4'-P energy: -33.787
tors. eta vs tors. theta energy: -56.765
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: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -782.663408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.663408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.663408 (E_RNA)
where:
Base-Base interactions energy: -505.826
where: short stacking energy: -233.320
Base-Backbone interact. energy: 1.041
local terms energy: -277.878281
where:
bonds (distance) C4'-P energy: -48.070
bonds (distance) P-C4' energy: -57.370
flat angles C4'-P-C4' energy: -63.104
flat angles P-C4'-P energy: -40.759
tors. eta vs tors. theta energy: -68.577
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: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -771.571325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.571325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.571325 (E_RNA)
where:
Base-Base interactions energy: -504.871
where: short stacking energy: -218.826
Base-Backbone interact. energy: -2.820
local terms energy: -263.880939
where:
bonds (distance) C4'-P energy: -67.285
bonds (distance) P-C4' energy: -56.334
flat angles C4'-P-C4' energy: -62.927
flat angles P-C4'-P energy: -29.996
tors. eta vs tors. theta energy: -47.339
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: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -623.819281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.819281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.819281 (E_RNA)
where:
Base-Base interactions energy: -373.993
where: short stacking energy: -161.958
Base-Backbone interact. energy: -0.101
local terms energy: -249.725139
where:
bonds (distance) C4'-P energy: -60.405
bonds (distance) P-C4' energy: -64.445
flat angles C4'-P-C4' energy: -60.356
flat angles P-C4'-P energy: -32.987
tors. eta vs tors. theta energy: -31.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -458.643679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.643679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.643679 (E_RNA)
where:
Base-Base interactions energy: -248.467
where: short stacking energy: -119.147
Base-Backbone interact. energy: 0.307
local terms energy: -210.483838
where:
bonds (distance) C4'-P energy: -56.874
bonds (distance) P-C4' energy: -52.002
flat angles C4'-P-C4' energy: -49.895
flat angles P-C4'-P energy: -39.756
tors. eta vs tors. theta energy: -11.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -354.320941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.320941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.320941 (E_RNA)
where:
Base-Base interactions energy: -150.068
where: short stacking energy: -105.845
Base-Backbone interact. energy: 1.210
local terms energy: -205.463590
where:
bonds (distance) C4'-P energy: -56.368
bonds (distance) P-C4' energy: -55.441
flat angles C4'-P-C4' energy: -45.160
flat angles P-C4'-P energy: -26.890
tors. eta vs tors. theta energy: -21.605
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: 1, replica: 8
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1094.184734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.184734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.184734 (E_RNA)
where:
Base-Base interactions energy: -743.831
where: short stacking energy: -311.364
Base-Backbone interact. energy: -3.131
local terms energy: -347.222672
where:
bonds (distance) C4'-P energy: -61.052
bonds (distance) P-C4' energy: -64.206
flat angles C4'-P-C4' energy: -74.465
flat angles P-C4'-P energy: -56.433
tors. eta vs tors. theta energy: -91.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1046.200370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.200370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.200370 (E_RNA)
where:
Base-Base interactions energy: -707.468
where: short stacking energy: -292.302
Base-Backbone interact. energy: -0.599
local terms energy: -338.133567
where:
bonds (distance) C4'-P energy: -71.349
bonds (distance) P-C4' energy: -67.843
flat angles C4'-P-C4' energy: -64.648
flat angles P-C4'-P energy: -51.372
tors. eta vs tors. theta energy: -82.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1009.173396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.173396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.173396 (E_RNA)
where:
Base-Base interactions energy: -690.896
where: short stacking energy: -287.206
Base-Backbone interact. energy: -1.961
local terms energy: -316.316770
where:
bonds (distance) C4'-P energy: -54.876
bonds (distance) P-C4' energy: -59.861
flat angles C4'-P-C4' energy: -67.154
flat angles P-C4'-P energy: -46.791
tors. eta vs tors. theta energy: -87.636
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: 10
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -902.956625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.956625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.956625 (E_RNA)
where:
Base-Base interactions energy: -610.200
where: short stacking energy: -275.700
Base-Backbone interact. energy: -1.436
local terms energy: -291.320032
where:
bonds (distance) C4'-P energy: -52.496
bonds (distance) P-C4' energy: -61.366
flat angles C4'-P-C4' energy: -64.336
flat angles P-C4'-P energy: -42.122
tors. eta vs tors. theta energy: -71.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -869.564548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.564548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.564548 (E_RNA)
where:
Base-Base interactions energy: -579.868
where: short stacking energy: -251.499
Base-Backbone interact. energy: -0.373
local terms energy: -289.323672
where:
bonds (distance) C4'-P energy: -46.607
bonds (distance) P-C4' energy: -70.138
flat angles C4'-P-C4' energy: -67.810
flat angles P-C4'-P energy: -36.060
tors. eta vs tors. theta energy: -68.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -768.923455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.923455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.923455 (E_RNA)
where:
Base-Base interactions energy: -513.102
where: short stacking energy: -221.152
Base-Backbone interact. energy: 1.320
local terms energy: -257.141213
where:
bonds (distance) C4'-P energy: -64.739
bonds (distance) P-C4' energy: -64.504
flat angles C4'-P-C4' energy: -50.321
flat angles P-C4'-P energy: -32.114
tors. eta vs tors. theta energy: -45.463
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: 5
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -719.634272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.634272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.634272 (E_RNA)
where:
Base-Base interactions energy: -475.398
where: short stacking energy: -220.327
Base-Backbone interact. energy: -0.374
local terms energy: -243.862106
where:
bonds (distance) C4'-P energy: -56.776
bonds (distance) P-C4' energy: -45.339
flat angles C4'-P-C4' energy: -57.828
flat angles P-C4'-P energy: -29.142
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: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -612.223200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.223200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.223200 (E_RNA)
where:
Base-Base interactions energy: -372.864
where: short stacking energy: -173.602
Base-Backbone interact. energy: 7.426
local terms energy: -246.784864
where:
bonds (distance) C4'-P energy: -60.992
bonds (distance) P-C4' energy: -55.728
flat angles C4'-P-C4' energy: -55.408
flat angles P-C4'-P energy: -38.418
tors. eta vs tors. theta energy: -36.239
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: 3
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -437.663559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.663559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.663559 (E_RNA)
where:
Base-Base interactions energy: -239.015
where: short stacking energy: -117.298
Base-Backbone interact. energy: 3.131
local terms energy: -201.779032
where:
bonds (distance) C4'-P energy: -61.926
bonds (distance) P-C4' energy: -56.920
flat angles C4'-P-C4' energy: -53.311
flat angles P-C4'-P energy: -27.105
tors. eta vs tors. theta energy: -2.516
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: 475
Temperature: 1.350000
Total energy: -356.698037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.698037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.698037 (E_RNA)
where:
Base-Base interactions energy: -190.254
where: short stacking energy: -96.651
Base-Backbone interact. energy: -1.047
local terms energy: -165.396736
where:
bonds (distance) C4'-P energy: -56.010
bonds (distance) P-C4' energy: -53.025
flat angles C4'-P-C4' energy: -37.300
flat angles P-C4'-P energy: -29.886
tors. eta vs tors. theta energy: 10.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1077.800603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.800603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.800603 (E_RNA)
where:
Base-Base interactions energy: -745.250
where: short stacking energy: -301.905
Base-Backbone interact. energy: -2.878
local terms energy: -329.673179
where:
bonds (distance) C4'-P energy: -57.067
bonds (distance) P-C4' energy: -67.998
flat angles C4'-P-C4' energy: -74.972
flat angles P-C4'-P energy: -47.039
tors. eta vs tors. theta energy: -82.598
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: 8
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1070.674328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.674328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.674328 (E_RNA)
where:
Base-Base interactions energy: -735.115
where: short stacking energy: -310.276
Base-Backbone interact. energy: -0.817
local terms energy: -334.742758
where:
bonds (distance) C4'-P energy: -57.993
bonds (distance) P-C4' energy: -65.347
flat angles C4'-P-C4' energy: -70.213
flat angles P-C4'-P energy: -50.874
tors. eta vs tors. theta energy: -90.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1015.605790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.605790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.605790 (E_RNA)
where:
Base-Base interactions energy: -701.399
where: short stacking energy: -302.194
Base-Backbone interact. energy: 0.735
local terms energy: -314.941747
where:
bonds (distance) C4'-P energy: -54.911
bonds (distance) P-C4' energy: -61.459
flat angles C4'-P-C4' energy: -67.924
flat angles P-C4'-P energy: -46.920
tors. eta vs tors. theta energy: -83.728
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: 476
Temperature: 1.050000
Total energy: -893.027012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.027012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.027012 (E_RNA)
where:
Base-Base interactions energy: -590.736
where: short stacking energy: -255.818
Base-Backbone interact. energy: -4.048
local terms energy: -298.264241
where:
bonds (distance) C4'-P energy: -55.197
bonds (distance) P-C4' energy: -61.322
flat angles C4'-P-C4' energy: -71.087
flat angles P-C4'-P energy: -36.732
tors. eta vs tors. theta energy: -73.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.021 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -870.288687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.288687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.288687 (E_RNA)
where:
Base-Base interactions energy: -592.051
where: short stacking energy: -242.319
Base-Backbone interact. energy: -0.717
local terms energy: -277.520123
where:
bonds (distance) C4'-P energy: -52.745
bonds (distance) P-C4' energy: -62.044
flat angles C4'-P-C4' energy: -56.392
flat angles P-C4'-P energy: -36.419
tors. eta vs tors. theta energy: -69.921
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: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -756.758270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.758270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.758270 (E_RNA)
where:
Base-Base interactions energy: -515.858
where: short stacking energy: -219.603
Base-Backbone interact. energy: 2.871
local terms energy: -243.771638
where:
bonds (distance) C4'-P energy: -53.755
bonds (distance) P-C4' energy: -51.714
flat angles C4'-P-C4' energy: -59.768
flat angles P-C4'-P energy: -44.379
tors. eta vs tors. theta energy: -34.155
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: 7, replica: 7
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -622.522872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.522872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.522872 (E_RNA)
where:
Base-Base interactions energy: -393.374
where: short stacking energy: -190.652
Base-Backbone interact. energy: -0.691
local terms energy: -228.457767
where:
bonds (distance) C4'-P energy: -57.227
bonds (distance) P-C4' energy: -54.177
flat angles C4'-P-C4' energy: -56.567
flat angles P-C4'-P energy: -29.402
tors. eta vs tors. theta energy: -31.085
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: 5
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -671.419191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.419191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.419191 (E_RNA)
where:
Base-Base interactions energy: -408.555
where: short stacking energy: -189.787
Base-Backbone interact. energy: -2.372
local terms energy: -260.492292
where:
bonds (distance) C4'-P energy: -57.837
bonds (distance) P-C4' energy: -57.027
flat angles C4'-P-C4' energy: -68.220
flat angles P-C4'-P energy: -34.338
tors. eta vs tors. theta energy: -43.071
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: 1
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -394.370128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.370128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.370128 (E_RNA)
where:
Base-Base interactions energy: -199.680
where: short stacking energy: -102.728
Base-Backbone interact. energy: -1.409
local terms energy: -193.281176
where:
bonds (distance) C4'-P energy: -55.336
bonds (distance) P-C4' energy: -62.255
flat angles C4'-P-C4' energy: -45.378
flat angles P-C4'-P energy: -31.943
tors. eta vs tors. theta energy: 1.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -412.266079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.266079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.266079 (E_RNA)
where:
Base-Base interactions energy: -223.572
where: short stacking energy: -119.179
Base-Backbone interact. energy: 1.300
local terms energy: -189.994285
where:
bonds (distance) C4'-P energy: -62.534
bonds (distance) P-C4' energy: -46.330
flat angles C4'-P-C4' energy: -40.782
flat angles P-C4'-P energy: -27.372
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1095.700517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.700517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.700517 (E_RNA)
where:
Base-Base interactions energy: -758.447
where: short stacking energy: -324.332
Base-Backbone interact. energy: -2.911
local terms energy: -334.342807
where:
bonds (distance) C4'-P energy: -60.021
bonds (distance) P-C4' energy: -66.482
flat angles C4'-P-C4' energy: -72.683
flat angles P-C4'-P energy: -41.345
tors. eta vs tors. theta energy: -93.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1053.824586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.824586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.824586 (E_RNA)
where:
Base-Base interactions energy: -728.420
where: short stacking energy: -313.562
Base-Backbone interact. energy: -2.892
local terms energy: -322.512641
where:
bonds (distance) C4'-P energy: -61.244
bonds (distance) P-C4' energy: -53.584
flat angles C4'-P-C4' energy: -77.171
flat angles P-C4'-P energy: -45.922
tors. eta vs tors. theta energy: -84.592
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: 3, replica: 4
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -968.792980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.792980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.792980 (E_RNA)
where:
Base-Base interactions energy: -648.981
where: short stacking energy: -267.990
Base-Backbone interact. energy: 0.195
local terms energy: -320.007539
where:
bonds (distance) C4'-P energy: -58.387
bonds (distance) P-C4' energy: -72.543
flat angles C4'-P-C4' energy: -69.203
flat angles P-C4'-P energy: -39.821
tors. eta vs tors. theta energy: -80.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -936.417087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.417087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.417087 (E_RNA)
where:
Base-Base interactions energy: -640.801
where: short stacking energy: -274.935
Base-Backbone interact. energy: 3.061
local terms energy: -298.677542
where:
bonds (distance) C4'-P energy: -47.351
bonds (distance) P-C4' energy: -55.412
flat angles C4'-P-C4' energy: -70.755
flat angles P-C4'-P energy: -46.490
tors. eta vs tors. theta energy: -78.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -891.392645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.392645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.392645 (E_RNA)
where:
Base-Base interactions energy: -574.820
where: short stacking energy: -243.269
Base-Backbone interact. energy: -2.383
local terms energy: -314.189546
where:
bonds (distance) C4'-P energy: -69.955
bonds (distance) P-C4' energy: -65.607
flat angles C4'-P-C4' energy: -66.791
flat angles P-C4'-P energy: -42.791
tors. eta vs tors. theta energy: -69.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -763.441451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.441451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.441451 (E_RNA)
where:
Base-Base interactions energy: -517.626
where: short stacking energy: -217.168
Base-Backbone interact. energy: 1.893
local terms energy: -247.707753
where:
bonds (distance) C4'-P energy: -53.999
bonds (distance) P-C4' energy: -49.110
flat angles C4'-P-C4' energy: -63.998
flat angles P-C4'-P energy: -30.224
tors. eta vs tors. theta energy: -50.377
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: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -621.898805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.898805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.898805 (E_RNA)
where:
Base-Base interactions energy: -375.937
where: short stacking energy: -168.282
Base-Backbone interact. energy: 1.462
local terms energy: -247.424259
where:
bonds (distance) C4'-P energy: -55.741
bonds (distance) P-C4' energy: -64.861
flat angles C4'-P-C4' energy: -70.990
flat angles P-C4'-P energy: -28.909
tors. eta vs tors. theta energy: -26.923
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: 8, replica: 5
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -649.331325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.331325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.331325 (E_RNA)
where:
Base-Base interactions energy: -412.014
where: short stacking energy: -172.793
Base-Backbone interact. energy: -1.671
local terms energy: -235.646800
where:
bonds (distance) C4'-P energy: -48.526
bonds (distance) P-C4' energy: -60.933
flat angles C4'-P-C4' energy: -53.610
flat angles P-C4'-P energy: -36.295
tors. eta vs tors. theta energy: -36.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -401.088101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.088101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.088101 (E_RNA)
where:
Base-Base interactions energy: -185.894
where: short stacking energy: -127.468
Base-Backbone interact. energy: 0.968
local terms energy: -216.161481
where:
bonds (distance) C4'-P energy: -55.746
bonds (distance) P-C4' energy: -55.986
flat angles C4'-P-C4' energy: -52.616
flat angles P-C4'-P energy: -28.055
tors. eta vs tors. theta energy: -23.759
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: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -397.878222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.878222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.878222 (E_RNA)
where:
Base-Base interactions energy: -210.037
where: short stacking energy: -107.407
Base-Backbone interact. energy: -0.732
local terms energy: -187.109347
where:
bonds (distance) C4'-P energy: -62.002
bonds (distance) P-C4' energy: -62.759
flat angles C4'-P-C4' energy: -48.254
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: 4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -1078.232833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.232833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.232833 (E_RNA)
where:
Base-Base interactions energy: -737.693
where: short stacking energy: -315.759
Base-Backbone interact. energy: -1.751
local terms energy: -338.789616
where:
bonds (distance) C4'-P energy: -71.420
bonds (distance) P-C4' energy: -64.937
flat angles C4'-P-C4' energy: -72.255
flat angles P-C4'-P energy: -40.300
tors. eta vs tors. theta energy: -89.878
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: 8
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1061.153678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.153678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.153678 (E_RNA)
where:
Base-Base interactions energy: -715.693
where: short stacking energy: -309.540
Base-Backbone interact. energy: -2.481
local terms energy: -342.979410
where:
bonds (distance) C4'-P energy: -57.857
bonds (distance) P-C4' energy: -72.083
flat angles C4'-P-C4' energy: -76.280
flat angles P-C4'-P energy: -46.861
tors. eta vs tors. theta energy: -89.898
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: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -973.973268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.973268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.973268 (E_RNA)
where:
Base-Base interactions energy: -663.682
where: short stacking energy: -274.398
Base-Backbone interact. energy: -0.265
local terms energy: -310.026424
where:
bonds (distance) C4'-P energy: -70.847
bonds (distance) P-C4' energy: -47.357
flat angles C4'-P-C4' energy: -70.252
flat angles P-C4'-P energy: -43.004
tors. eta vs tors. theta energy: -78.566
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: 4
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -939.659932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.659932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.659932 (E_RNA)
where:
Base-Base interactions energy: -634.603
where: short stacking energy: -279.690
Base-Backbone interact. energy: -0.869
local terms energy: -304.187962
where:
bonds (distance) C4'-P energy: -67.368
bonds (distance) P-C4' energy: -55.617
flat angles C4'-P-C4' energy: -66.774
flat angles P-C4'-P energy: -47.162
tors. eta vs tors. theta energy: -67.266
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: 5, replica: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -884.089233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.089233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.089233 (E_RNA)
where:
Base-Base interactions energy: -589.918
where: short stacking energy: -269.428
Base-Backbone interact. energy: 0.745
local terms energy: -295.150398
where:
bonds (distance) C4'-P energy: -54.478
bonds (distance) P-C4' energy: -62.370
flat angles C4'-P-C4' energy: -69.736
flat angles P-C4'-P energy: -28.277
tors. eta vs tors. theta energy: -80.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.233 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -807.402591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.402591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.402591 (E_RNA)
where:
Base-Base interactions energy: -531.871
where: short stacking energy: -227.374
Base-Backbone interact. energy: -0.535
local terms energy: -274.996759
where:
bonds (distance) C4'-P energy: -60.039
bonds (distance) P-C4' energy: -59.177
flat angles C4'-P-C4' energy: -54.207
flat angles P-C4'-P energy: -44.924
tors. eta vs tors. theta energy: -56.649
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: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -639.757449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.757449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.757449 (E_RNA)
where:
Base-Base interactions energy: -389.208
where: short stacking energy: -169.455
Base-Backbone interact. energy: -0.796
local terms energy: -249.753466
where:
bonds (distance) C4'-P energy: -60.368
bonds (distance) P-C4' energy: -55.431
flat angles C4'-P-C4' energy: -61.382
flat angles P-C4'-P energy: -40.602
tors. eta vs tors. theta energy: -31.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -669.541313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.541313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.541313 (E_RNA)
where:
Base-Base interactions energy: -427.140
where: short stacking energy: -192.030
Base-Backbone interact. energy: 2.116
local terms energy: -244.517108
where:
bonds (distance) C4'-P energy: -54.703
bonds (distance) P-C4' energy: -60.598
flat angles C4'-P-C4' energy: -47.416
flat angles P-C4'-P energy: -38.373
tors. eta vs tors. theta energy: -43.427
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: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -422.979310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.979310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.979310 (E_RNA)
where:
Base-Base interactions energy: -220.399
where: short stacking energy: -112.840
Base-Backbone interact. energy: 1.035
local terms energy: -203.615229
where:
bonds (distance) C4'-P energy: -57.855
bonds (distance) P-C4' energy: -62.278
flat angles C4'-P-C4' energy: -43.503
flat angles P-C4'-P energy: -30.072
tors. eta vs tors. theta energy: -9.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -341.889976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.889976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.889976 (E_RNA)
where:
Base-Base interactions energy: -154.035
where: short stacking energy: -82.269
Base-Backbone interact. energy: -0.695
local terms energy: -187.160304
where:
bonds (distance) C4'-P energy: -45.793
bonds (distance) P-C4' energy: -61.788
flat angles C4'-P-C4' energy: -51.259
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -7.249
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: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1090.560563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.560563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.560563 (E_RNA)
where:
Base-Base interactions energy: -767.848
where: short stacking energy: -317.646
Base-Backbone interact. energy: -4.387
local terms energy: -318.325146
where:
bonds (distance) C4'-P energy: -52.806
bonds (distance) P-C4' energy: -63.140
flat angles C4'-P-C4' energy: -64.200
flat angles P-C4'-P energy: -44.147
tors. eta vs tors. theta energy: -94.032
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: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1041.077974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.077974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.077974 (E_RNA)
where:
Base-Base interactions energy: -731.896
where: short stacking energy: -322.029
Base-Backbone interact. energy: -0.031
local terms energy: -309.150728
where:
bonds (distance) C4'-P energy: -47.152
bonds (distance) P-C4' energy: -55.252
flat angles C4'-P-C4' energy: -70.933
flat angles P-C4'-P energy: -48.348
tors. eta vs tors. theta energy: -87.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -964.399537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.399537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.399537 (E_RNA)
where:
Base-Base interactions energy: -663.793
where: short stacking energy: -294.347
Base-Backbone interact. energy: -2.378
local terms energy: -298.228116
where:
bonds (distance) C4'-P energy: -45.791
bonds (distance) P-C4' energy: -68.023
flat angles C4'-P-C4' energy: -61.202
flat angles P-C4'-P energy: -41.956
tors. eta vs tors. theta energy: -81.257
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: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -967.903321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.903321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.903321 (E_RNA)
where:
Base-Base interactions energy: -644.263
where: short stacking energy: -278.091
Base-Backbone interact. energy: -3.174
local terms energy: -320.466452
where:
bonds (distance) C4'-P energy: -69.580
bonds (distance) P-C4' energy: -67.493
flat angles C4'-P-C4' energy: -68.990
flat angles P-C4'-P energy: -46.572
tors. eta vs tors. theta energy: -67.831
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: 10
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -880.563941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.563941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.563941 (E_RNA)
where:
Base-Base interactions energy: -573.994
where: short stacking energy: -263.263
Base-Backbone interact. energy: -1.356
local terms energy: -306.188389
where:
bonds (distance) C4'-P energy: -49.974
bonds (distance) P-C4' energy: -60.356
flat angles C4'-P-C4' energy: -72.720
flat angles P-C4'-P energy: -40.475
tors. eta vs tors. theta energy: -82.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.974 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -827.722646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.722646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.722646 (E_RNA)
where:
Base-Base interactions energy: -547.986
where: short stacking energy: -236.059
Base-Backbone interact. energy: -0.045
local terms energy: -279.692128
where:
bonds (distance) C4'-P energy: -57.126
bonds (distance) P-C4' energy: -64.975
flat angles C4'-P-C4' energy: -66.679
flat angles P-C4'-P energy: -37.009
tors. eta vs tors. theta energy: -53.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -660.424063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.424063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.424063 (E_RNA)
where:
Base-Base interactions energy: -420.241
where: short stacking energy: -180.150
Base-Backbone interact. energy: -0.633
local terms energy: -239.549713
where:
bonds (distance) C4'-P energy: -51.445
bonds (distance) P-C4' energy: -61.696
flat angles C4'-P-C4' energy: -61.000
flat angles P-C4'-P energy: -34.827
tors. eta vs tors. theta energy: -30.582
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: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -612.800688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.800688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.800688 (E_RNA)
where:
Base-Base interactions energy: -366.506
where: short stacking energy: -167.708
Base-Backbone interact. energy: 1.042
local terms energy: -247.336410
where:
bonds (distance) C4'-P energy: -64.505
bonds (distance) P-C4' energy: -61.790
flat angles C4'-P-C4' energy: -51.304
flat angles P-C4'-P energy: -32.777
tors. eta vs tors. theta energy: -36.961
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: 3
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -408.467674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.467674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.467674 (E_RNA)
where:
Base-Base interactions energy: -229.216
where: short stacking energy: -116.053
Base-Backbone interact. energy: -1.309
local terms energy: -177.943281
where:
bonds (distance) C4'-P energy: -44.255
bonds (distance) P-C4' energy: -45.896
flat angles C4'-P-C4' energy: -47.400
flat angles P-C4'-P energy: -34.925
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -325.757849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.757849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.757849 (E_RNA)
where:
Base-Base interactions energy: -146.179
where: short stacking energy: -97.787
Base-Backbone interact. energy: 5.222
local terms energy: -184.801524
where:
bonds (distance) C4'-P energy: -50.880
bonds (distance) P-C4' energy: -60.489
flat angles C4'-P-C4' energy: -32.714
flat angles P-C4'-P energy: -38.116
tors. eta vs tors. theta energy: -2.603
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: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1105.838951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.838951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.838951 (E_RNA)
where:
Base-Base interactions energy: -769.020
where: short stacking energy: -317.202
Base-Backbone interact. energy: -4.912
local terms energy: -331.906640
where:
bonds (distance) C4'-P energy: -67.623
bonds (distance) P-C4' energy: -65.535
flat angles C4'-P-C4' energy: -61.948
flat angles P-C4'-P energy: -44.290
tors. eta vs tors. theta energy: -92.511
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: 8
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1035.763929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.763929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.763929 (E_RNA)
where:
Base-Base interactions energy: -703.707
where: short stacking energy: -296.347
Base-Backbone interact. energy: 0.098
local terms energy: -332.154473
where:
bonds (distance) C4'-P energy: -66.767
bonds (distance) P-C4' energy: -54.444
flat angles C4'-P-C4' energy: -80.439
flat angles P-C4'-P energy: -51.302
tors. eta vs tors. theta energy: -79.202
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: 4
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1010.300001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.300001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.300001 (E_RNA)
where:
Base-Base interactions energy: -699.691
where: short stacking energy: -297.644
Base-Backbone interact. energy: -2.139
local terms energy: -308.469937
where:
bonds (distance) C4'-P energy: -65.435
bonds (distance) P-C4' energy: -50.984
flat angles C4'-P-C4' energy: -63.495
flat angles P-C4'-P energy: -41.341
tors. eta vs tors. theta energy: -87.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -921.160597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.160597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.160597 (E_RNA)
where:
Base-Base interactions energy: -618.643
where: short stacking energy: -262.624
Base-Backbone interact. energy: -0.187
local terms energy: -302.329963
where:
bonds (distance) C4'-P energy: -61.927
bonds (distance) P-C4' energy: -59.081
flat angles C4'-P-C4' energy: -67.821
flat angles P-C4'-P energy: -40.790
tors. eta vs tors. theta energy: -72.711
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: 10
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -903.941985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.941985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.941985 (E_RNA)
where:
Base-Base interactions energy: -602.503
where: short stacking energy: -279.494
Base-Backbone interact. energy: -0.296
local terms energy: -302.199356
where:
bonds (distance) C4'-P energy: -49.886
bonds (distance) P-C4' energy: -57.047
flat angles C4'-P-C4' energy: -62.650
flat angles P-C4'-P energy: -45.640
tors. eta vs tors. theta energy: -86.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 1.056 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -820.004226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.004226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.004226 (E_RNA)
where:
Base-Base interactions energy: -542.610
where: short stacking energy: -230.291
Base-Backbone interact. energy: -1.203
local terms energy: -276.191777
where:
bonds (distance) C4'-P energy: -57.729
bonds (distance) P-C4' energy: -55.442
flat angles C4'-P-C4' energy: -59.411
flat angles P-C4'-P energy: -38.211
tors. eta vs tors. theta energy: -65.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -676.892162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.892162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.892162 (E_RNA)
where:
Base-Base interactions energy: -418.764
where: short stacking energy: -178.887
Base-Backbone interact. energy: -0.332
local terms energy: -257.795465
where:
bonds (distance) C4'-P energy: -59.568
bonds (distance) P-C4' energy: -52.344
flat angles C4'-P-C4' energy: -66.072
flat angles P-C4'-P energy: -36.022
tors. eta vs tors. theta energy: -43.790
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: 5
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -632.414820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.414820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.414820 (E_RNA)
where:
Base-Base interactions energy: -400.821
where: short stacking energy: -182.486
Base-Backbone interact. energy: -1.204
local terms energy: -230.390241
where:
bonds (distance) C4'-P energy: -57.026
bonds (distance) P-C4' energy: -46.566
flat angles C4'-P-C4' energy: -63.527
flat angles P-C4'-P energy: -32.720
tors. eta vs tors. theta energy: -30.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -445.182644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.182644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.182644 (E_RNA)
where:
Base-Base interactions energy: -244.931
where: short stacking energy: -157.378
Base-Backbone interact. energy: -0.896
local terms energy: -199.355107
where:
bonds (distance) C4'-P energy: -51.167
bonds (distance) P-C4' energy: -49.998
flat angles C4'-P-C4' energy: -45.647
flat angles P-C4'-P energy: -24.475
tors. eta vs tors. theta energy: -28.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -320.966038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.966038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.966038 (E_RNA)
where:
Base-Base interactions energy: -150.874
where: short stacking energy: -104.226
Base-Backbone interact. energy: 0.625
local terms energy: -170.717019
where:
bonds (distance) C4'-P energy: -56.283
bonds (distance) P-C4' energy: -56.840
flat angles C4'-P-C4' energy: -48.920
flat angles P-C4'-P energy: -22.080
tors. eta vs tors. theta energy: 13.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1090.137436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.137436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.137436 (E_RNA)
where:
Base-Base interactions energy: -759.662
where: short stacking energy: -305.450
Base-Backbone interact. energy: -3.351
local terms energy: -327.124619
where:
bonds (distance) C4'-P energy: -70.074
bonds (distance) P-C4' energy: -60.878
flat angles C4'-P-C4' energy: -68.433
flat angles P-C4'-P energy: -39.199
tors. eta vs tors. theta energy: -88.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1020.105130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.105130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.105130 (E_RNA)
where:
Base-Base interactions energy: -713.560
where: short stacking energy: -301.226
Base-Backbone interact. energy: -0.880
local terms energy: -305.665169
where:
bonds (distance) C4'-P energy: -54.441
bonds (distance) P-C4' energy: -63.839
flat angles C4'-P-C4' energy: -65.267
flat angles P-C4'-P energy: -42.213
tors. eta vs tors. theta energy: -79.905
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: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -985.123682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.123682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.123682 (E_RNA)
where:
Base-Base interactions energy: -657.137
where: short stacking energy: -293.194
Base-Backbone interact. energy: -4.857
local terms energy: -323.129845
where:
bonds (distance) C4'-P energy: -59.859
bonds (distance) P-C4' energy: -58.967
flat angles C4'-P-C4' energy: -71.785
flat angles P-C4'-P energy: -47.474
tors. eta vs tors. theta energy: -85.045
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: 481
Temperature: 1.050000
Total energy: -907.606924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.606924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.606924 (E_RNA)
where:
Base-Base interactions energy: -611.096
where: short stacking energy: -271.230
Base-Backbone interact. energy: -0.496
local terms energy: -296.014596
where:
bonds (distance) C4'-P energy: -62.018
bonds (distance) P-C4' energy: -66.375
flat angles C4'-P-C4' energy: -60.571
flat angles P-C4'-P energy: -36.410
tors. eta vs tors. theta energy: -70.640
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: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -851.032119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.032119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.032119 (E_RNA)
where:
Base-Base interactions energy: -574.464
where: short stacking energy: -239.836
Base-Backbone interact. energy: -1.069
local terms energy: -275.499054
where:
bonds (distance) C4'-P energy: -56.365
bonds (distance) P-C4' energy: -52.509
flat angles C4'-P-C4' energy: -65.468
flat angles P-C4'-P energy: -39.345
tors. eta vs tors. theta energy: -61.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -835.053826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.053826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.053826 (E_RNA)
where:
Base-Base interactions energy: -559.696
where: short stacking energy: -230.483
Base-Backbone interact. energy: 1.974
local terms energy: -277.332188
where:
bonds (distance) C4'-P energy: -62.843
bonds (distance) P-C4' energy: -65.887
flat angles C4'-P-C4' energy: -53.739
flat angles P-C4'-P energy: -37.668
tors. eta vs tors. theta energy: -57.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -599.558734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.558734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.558734 (E_RNA)
where:
Base-Base interactions energy: -364.243
where: short stacking energy: -162.802
Base-Backbone interact. energy: 0.069
local terms energy: -235.384427
where:
bonds (distance) C4'-P energy: -53.060
bonds (distance) P-C4' energy: -59.481
flat angles C4'-P-C4' energy: -62.202
flat angles P-C4'-P energy: -35.150
tors. eta vs tors. theta energy: -25.491
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: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -627.231286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.231286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.231286 (E_RNA)
where:
Base-Base interactions energy: -385.805
where: short stacking energy: -169.839
Base-Backbone interact. energy: 0.886
local terms energy: -242.312565
where:
bonds (distance) C4'-P energy: -54.781
bonds (distance) P-C4' energy: -66.643
flat angles C4'-P-C4' energy: -63.871
flat angles P-C4'-P energy: -23.858
tors. eta vs tors. theta energy: -33.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -440.219681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.219681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.219681 (E_RNA)
where:
Base-Base interactions energy: -240.777
where: short stacking energy: -110.825
Base-Backbone interact. energy: 0.786
local terms energy: -200.228940
where:
bonds (distance) C4'-P energy: -52.912
bonds (distance) P-C4' energy: -67.322
flat angles C4'-P-C4' energy: -47.645
flat angles P-C4'-P energy: -18.475
tors. eta vs tors. theta energy: -13.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -366.685138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.685138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.685138 (E_RNA)
where:
Base-Base interactions energy: -175.730
where: short stacking energy: -99.217
Base-Backbone interact. energy: -2.289
local terms energy: -188.665443
where:
bonds (distance) C4'-P energy: -49.237
bonds (distance) P-C4' energy: -50.120
flat angles C4'-P-C4' energy: -49.392
flat angles P-C4'-P energy: -31.286
tors. eta vs tors. theta energy: -8.631
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: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1097.205939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.205939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.205939 (E_RNA)
where:
Base-Base interactions energy: -764.900
where: short stacking energy: -319.252
Base-Backbone interact. energy: -2.741
local terms energy: -329.565349
where:
bonds (distance) C4'-P energy: -64.970
bonds (distance) P-C4' energy: -61.164
flat angles C4'-P-C4' energy: -74.327
flat angles P-C4'-P energy: -43.903
tors. eta vs tors. theta energy: -85.201
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: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1005.542299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.542299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.542299 (E_RNA)
where:
Base-Base interactions energy: -687.407
where: short stacking energy: -298.802
Base-Backbone interact. energy: -0.575
local terms energy: -317.560211
where:
bonds (distance) C4'-P energy: -52.376
bonds (distance) P-C4' energy: -65.190
flat angles C4'-P-C4' energy: -68.702
flat angles P-C4'-P energy: -51.686
tors. eta vs tors. theta energy: -79.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -974.690934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.690934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.690934 (E_RNA)
where:
Base-Base interactions energy: -645.850
where: short stacking energy: -281.596
Base-Backbone interact. energy: -1.817
local terms energy: -327.023442
where:
bonds (distance) C4'-P energy: -58.697
bonds (distance) P-C4' energy: -66.518
flat angles C4'-P-C4' energy: -69.817
flat angles P-C4'-P energy: -47.060
tors. eta vs tors. theta energy: -84.931
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: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -938.059146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.059146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.059146 (E_RNA)
where:
Base-Base interactions energy: -631.445
where: short stacking energy: -270.742
Base-Backbone interact. energy: -0.186
local terms energy: -306.427622
where:
bonds (distance) C4'-P energy: -49.187
bonds (distance) P-C4' energy: -75.379
flat angles C4'-P-C4' energy: -58.400
flat angles P-C4'-P energy: -45.322
tors. eta vs tors. theta energy: -78.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -846.835209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.835209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.835209 (E_RNA)
where:
Base-Base interactions energy: -558.378
where: short stacking energy: -240.064
Base-Backbone interact. energy: 0.518
local terms energy: -288.975689
where:
bonds (distance) C4'-P energy: -55.903
bonds (distance) P-C4' energy: -64.960
flat angles C4'-P-C4' energy: -62.389
flat angles P-C4'-P energy: -44.183
tors. eta vs tors. theta energy: -61.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -828.409858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.409858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.409858 (E_RNA)
where:
Base-Base interactions energy: -546.536
where: short stacking energy: -244.599
Base-Backbone interact. energy: -0.924
local terms energy: -280.949681
where:
bonds (distance) C4'-P energy: -57.088
bonds (distance) P-C4' energy: -62.475
flat angles C4'-P-C4' energy: -60.072
flat angles P-C4'-P energy: -34.692
tors. eta vs tors. theta energy: -66.623
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: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -690.821101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.821101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.821101 (E_RNA)
where:
Base-Base interactions energy: -453.366
where: short stacking energy: -186.384
Base-Backbone interact. energy: -0.615
local terms energy: -236.840257
where:
bonds (distance) C4'-P energy: -44.225
bonds (distance) P-C4' energy: -58.125
flat angles C4'-P-C4' energy: -59.570
flat angles P-C4'-P energy: -40.431
tors. eta vs tors. theta energy: -34.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -614.193915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.193915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.193915 (E_RNA)
where:
Base-Base interactions energy: -397.213
where: short stacking energy: -176.414
Base-Backbone interact. energy: -1.135
local terms energy: -215.846189
where:
bonds (distance) C4'-P energy: -55.322
bonds (distance) P-C4' energy: -42.538
flat angles C4'-P-C4' energy: -49.484
flat angles P-C4'-P energy: -35.334
tors. eta vs tors. theta energy: -33.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -363.757245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.757245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.757245 (E_RNA)
where:
Base-Base interactions energy: -165.606
where: short stacking energy: -112.603
Base-Backbone interact. energy: -0.086
local terms energy: -198.064646
where:
bonds (distance) C4'-P energy: -53.008
bonds (distance) P-C4' energy: -55.699
flat angles C4'-P-C4' energy: -52.358
flat angles P-C4'-P energy: -38.290
tors. eta vs tors. theta energy: 1.290
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: 3
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -332.085155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.085155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.085155 (E_RNA)
where:
Base-Base interactions energy: -157.915
where: short stacking energy: -86.335
Base-Backbone interact. energy: 1.520
local terms energy: -175.690015
where:
bonds (distance) C4'-P energy: -50.454
bonds (distance) P-C4' energy: -62.287
flat angles C4'-P-C4' energy: -32.547
flat angles P-C4'-P energy: -31.938
tors. eta vs tors. theta energy: 1.537
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)
out arg RESULTS//1/RNA_A-c89ea28d_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE